SCHEMBL6299308

SCHEMBL6299308

COC(=O)c1ccc(-c2ccncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ROCK1 Q13464 2/20 0.52
CYP2D6 P10635 2/20 0.52
MAPK1 P28482 2/20 0.52
ROCK2 O75116 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PRKCG P05129 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
PRKX P51817 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
SGK2 Q9HBY8 1/20 0.52
GABRA5 P31644 1/20 0.47

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
SCHEMBL4264588 0.83 ABL1 (0.53) ALDH1A1KDM4EROCK1CYP2D6MAPK1
SCHEMBL9948572 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1CA1CA2
SCHEMBL4772421 0.80 CAMK2D (0.54) ALDH1A1KDM4EROCK1CYP2D6MAPK1
SCHEMBL13019478 0.79 HDAC1 (0.58) ALDH1A1KDM4EROCK2GSK3AGSK3B
SCHEMBL741537 0.79 HDAC1 (0.58) ALDH1A1KDM4EROCK2GSK3AGSK3B
SCHEMBL30772298 0.79 TGFBR1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL6259 0.79 TGFBR1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL1445286 0.78 MAP4K4 (0.54) ROCK1CYP2D6MAPK1ROCK2CYP3A4
SCHEMBL29598250 0.78 MAPK1 (0.61) ALDH1A1KDM4EMAPK1CA1CA2
SCHEMBL6306083 0.78 CYP2D6 (0.45) ALDH1A1ROCK1CYP2D6MAPK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1220682-C Heterocyclic derivatives which inhibit factor Xa ZENECA LTD (GB) 2005-09-28 CN disclosed
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US disclosed
EP-0937048-B1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ASTRAZENECA AB (SE) 2004-01-21 EP disclosed
EP-1358909-A1 Heteroaryl-phenyl derivatives as factor xa inhibitors for use as antithrombotic and anticoagulant agents AstraZeneca AB (SE) 2003-11-05 EP disclosed
US-20030195203-A1 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2003-10-16 US disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
CN-1235597-A Heterocycle derivatives inhibiting factor Xa ZENECA LTD (GB) 1999-11-17 CN disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 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-20030195203-A1 Heterocyclic derivatives F12, F11, F2 ALDH1A1 279/4885KDM4E 4016/4885ROCK1 2208/4885

“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.