SCHEMBL7975522

SCHEMBL7975522

COc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 2/20 0.43
CYP17A1 P05093 1/20 0.43
GUSB P08236 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
HPSE Q9Y251 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL7978076 0.91 CHEK2 (0.43) CYP19A1KDM4ENPC1ALDH1A1MAPT
SCHEMBL7975526 0.87 KIT (0.46) KITCYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL7975506 0.85 SLC34A1 (0.39) PKN1PKN2CHEK2RHEB
SCHEMBL10140739 0.84 KDM4E (0.40) KITCYP11B1GUSBKDM4ENPC1
SCHEMBL16258976 0.82 NPC1 (0.42) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL10139872 0.79 CHEK2 (0.46) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL10173220 0.77 CHEK2 (0.43) CYP19A1MAPTPKN1PKN2CHEK2
SCHEMBL10172619 0.75 DHODH (0.39) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL10140724 0.74 CA12 (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL16258982 0.71 RHEB (0.40) KDM4EALDH1A1MAPTHPGDPKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 KIT 1520/4885CYP19A1 390/4885CYP11B2 1362/4885

“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.