SCHEMBL394651

SCHEMBL394651

N#Cc1c[nH]c2cc(N)ccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.56
IMPDH1 P20839 1/20 0.56
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HASPIN Q8TF76 1/20 0.46
CLK1 P49759 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MDM4 O15151 1/20 0.41
ASH1L Q9NR48 1/20 0.40
DYRK1A Q13627 3/20 0.40
MCL1 Q07820 1/20 0.40
LRRK2 Q5S007 1/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29483665 0.98 IMPDH2 (0.55) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL3298121 0.85 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL29940868 0.85 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL6600237 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187169 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL30665808 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL578797 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL13181942 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL10095346 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL28774173 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 286 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
CN-113929618-B Oxo-pyridine amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-08-11 CN disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
CN-113912586-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-04-07 CN disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 IMPDH2 3158/4885IMPDH1 3009/4885CCNT1 4539/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 IMPDH2 3158/4885IMPDH1 3009/4885CCNT1 4539/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 IMPDH2 3128/4885IMPDH1 3346/4885CCNT1 4754/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 IMPDH2 3158/4885IMPDH1 3009/4885CCNT1 4539/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 IMPDH2 1386/4885IMPDH1 1404/4885CCNT1 4520/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 IMPDH2 3195/4885IMPDH1 3153/4885CCNT1 4804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.