SCHEMBL3329152

SCHEMBL3329152

Cc1cn(C)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDH1 O75874 1/20 0.35
BRD4 O60885 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CCNA1 P78396 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL28620208 0.98 CYP2C19 (0.42) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL12341173 0.79 ALDH1A1 (0.32) CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL15623924 0.77 GAA (0.41) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL16003320 0.76 POLB (0.40) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL314811 0.76 GAA (0.40) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL8683980 0.76 GAA (0.43) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL3329149 0.76 GAA (0.40) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL2611115 0.76 GAA (0.40) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL2611110 0.76 LMNA (0.45) CYP2C19CYP3A4GAAPOLBLMNA
SCHEMBL19272722 0.75 GAA (0.35) CYP2C19CYP3A4GAAPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
CN-100355735-C Method for preparing arylalkyne BAYER CHEMICAL PRODUCT AG (DE) 2007-12-19 CN claimed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-15 US disclosed
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-15 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
CN-1517340-A Method for preparing arylalkyne ˹���ػ�ѧ��Ʒ�ɷ����޹�˾ 2004-08-04 CN disclosed
CN-1517341-A Pyrazolylalkyne 拜尔化学品股份公司 2004-08-04 CN disclosed
CN-1517339-A Pyrazolyl arync 拜尔化学品股份公司 2004-08-04 CN disclosed
CN-1078234-A Pyrazole carboxanilide fungicide MONSANTO CO (US) 1993-11-10 CN 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 (9 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 CYP2C19 2378/4885CYP3A4 2004/4885GAA 486/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 CYP2C19 1642/4885CYP3A4 2682/4885GAA 728/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL CYP2C19 126/4885CYP3A4 39/4885GAA 3315/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP2C19 1055/4885CYP3A4 991/4885GAA 3403/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 CYP2C19 494/4885CYP3A4 641/4885GAA 3814/4885
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms CYP51A1, CYP1A1, CYP1B1 CYP2C19 35/4885CYP3A4 9/4885GAA 380/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 CYP2C19 1161/4885CYP3A4 1112/4885GAA 3290/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP2C19 1055/4885CYP3A4 991/4885GAA 3403/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CYP2C19 4389/4885CYP3A4 4339/4885GAA 1455/4885

“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.