SCHEMBL8363045

SCHEMBL8363045

COc1ccc2nonc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
NQO2 P16083 1/20 0.53
ENPP2 Q13822 2/20 0.48
CYP1A2 P05177 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
PTPN7 P35236 1/20 0.45

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
SCHEMBL19122690 0.79 KMT2A (0.51) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL17658900 0.78 MAPT (0.45) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL10214298 0.75 MEN1 (0.87) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL18025317 0.74 RAB9A (1.00) POLBRAB9AMAPTNPC1MEN1
SCHEMBL13610307 0.74 MAPK1 (0.48) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL11010137 0.74 LTA4H (0.46) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL12169189 0.74 ENPP2 (0.44) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL19121295 0.74 NPC1 (0.42) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL11016307 0.74 LTA4H (0.52) POLBRAB9AMAPTNPC1ALDH1A1
SCHEMBL7442360 0.73 MEN1 (0.44) POLBRAB9AMAPTNPC1MEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-11-28 US disclosed
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
CN-107915687-B High-efficiency preparation method of polysubstituted phenazine derivative and oxide thereof 清华大学 2021-02-26 CN disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
WO-2017173274-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-05 WO disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO 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 (10 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-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS ERBB2, ERBB3, EGFR POLB 729/4885RAB9A 3174/4885MAPT 1775/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ POLB 1087/4885RAB9A 2232/4885MAPT 2976/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 POLB 4234/4885RAB9A 888/4885MAPT 4883/4885

“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.