SCHEMBL8267284

SCHEMBL8267284

Cc1ccc2c(c1)-c1[nH]c(C)nc1CCN2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.39
PARP1 P09874 1/20 0.39
PARP11 Q9NR21 1/20 0.36
TYMS P04818 6/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
GAA P10253 1/20 0.33
NPY5R Q15761 3/20 0.32
BRD4 O60885 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2131766 0.86 TYMS (0.46) PARP10PARP1TYMSALDH1A1LMNA
SCHEMBL1496025 0.82 BRD4 (0.44) PARP1TYMSALDH1A1KDM4EMAPT
SCHEMBL239960 0.79 AR (0.40) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL13950049 0.76 PARP10 (0.47) PARP10PARP1PARP11ALDH1A1KDM4E
SCHEMBL2756736 0.74 TYMS (0.42) PARP10PARP1PARP11TYMSALDH1A1
SCHEMBL12066538 0.73 CA12 (0.34) PARP10PARP11TYMSALDH1A1KDM4E
SCHEMBL10141060 0.72 PARP10 (0.40) PARP10PARP11TYMSALDH1A1KDM4E
SCHEMBL2756733 0.72 PARP10 (0.40) PARP10PARP11TYMSALDH1A1KDM4E
SCHEMBL2756732 0.70 ALDH1A1 (0.36) TYMSALDH1A1MAPTHSD17B10GAA
SCHEMBL5546719 0.69 ALDH1A1 (0.58) PARP10PARP1PARP11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B PARP10 1060/4885PARP1 1728/4885PARP11 1102/4885

“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.