SCHEMBL1356366

SCHEMBL1356366

CCCC[Sn](CCCC)(CCCC)c1cnc(C2(NCc3ccc(OC)cc3)CCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.43
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
AURKB Q96GD4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL12133629 0.80 SSTR3 (0.52) SSTR3RPS6KB1CDK2GSK3AGSK3B
SCHEMBL1356295 0.75 CASP3 (0.33) CASP3SENP8SENP7SENP6POLB
SCHEMBL2226640 0.73 SMN1; SMN2 (0.45) CASP3SENP8SENP7SENP6HDAC3
SCHEMBL1356593 0.72 SSTR3 (0.47) SSTR3POLBLMNAGAANPC1
SCHEMBL4742371 0.71 LMNA (0.40) CASP3SENP8SENP7SENP6POLB
SCHEMBL1356553 0.71 SYK (0.30)
SCHEMBL1356447 0.70
SCHEMBL12133631 0.67 SSTR3 (0.40) SSTR3RPS6KB1CDK2GSK3AGSK3B
SCHEMBL424664 0.66 SLC6A3 (0.32)
SCHEMBL30620636 0.61 ALDH1A1 (0.34) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB SSTR3 2717/4885RPS6KB1 305/4885CDK2 12/4885

“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.