SCHEMBL9568684

SCHEMBL9568684

O=Cc1nnc(-c2ccc(F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 0.40
PSMD14 O00487 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL18003902 0.81 MGAM (0.55) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL10972611 0.81 CA1 (0.50) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL12882390 0.75 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL3826842 0.72 HDAC1 (0.44) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL1143313 0.71 KDM4E (0.66) SMN1; SMN2CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL8044729 0.71 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL21346519 0.71 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL14970084 0.71 NPC1 (0.50) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1
SCHEMBL14814714 0.69 ABL1 (0.42) CSNK2A1RAB9ANPC1KDM4EHDAC1
SCHEMBL8840334 0.69 CSNK2A2 (0.56) KMT2ASMN1; SMN2MEN1CSNK2A2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085164-A1 Imidazole Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
WO-2013049565-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
EP-0557834-A1 Process for the preparation of heterocyclic aldehyds and ketones BASF Aktiengesellschaft (DE) 1993-09-01 EP 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 (4 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-20130085148-A1 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 KMT2A 2460/4885SMN1; SMN2 2677/4885MEN1 3533/4885
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 KMT2A 2239/4885SMN1; SMN2 1474/4885MEN1 3281/4885
US-20160340310-A9 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 KMT2A 2460/4885SMN1; SMN2 2677/4885MEN1 3533/4885
US-20130085164-A1 Imidazole Derivatives CYP17A1, CYP2A7, CYP11B1 KMT2A 1810/4885SMN1; SMN2 2574/4885MEN1 2644/4885

“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.