SCHEMBL2264871

SCHEMBL2264871

Cc1ccc2c(c1N)CC=NC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 1/20 0.38
CASP3 P42574 1/20 0.38
HBB P68871 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.32
TYMS P04818 1/20 0.31
MEN1 O00255 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2339977 0.79 ELANE (0.38) ALDH1A1
SCHEMBL11104301 0.79 PARP10 (0.33) POLBALDH1A1TSHRCYP3A4
SCHEMBL9194801 0.75 PARP1 (0.46) POLBALDH1A1TYMSMEN1KMT2A
SCHEMBL4009918 0.72 MEN1 (0.43) POLBNPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL215326 0.71 PARP1 (0.46) POLBNPC1ALDH1A1RAB9ACYP3A4
Hydrochloric Acid SCHEMBL5496370 0.70 PARP1 (0.45) POLBNPC1ALDH1A1RAB9ACYP3A4
SCHEMBL3252600 0.68 POLB (0.47) POLBNPC1ALDH1A1TSHRMAPK1
SCHEMBL307690 0.64 TYMS (0.39) TYMS
SCHEMBL4230483 0.64 CDK5 (0.49) KMT2A
SCHEMBL4002381 0.64 CASP1 (0.47) POLBNPC1ALDH1A1TSHRMAPK1

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
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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 (2 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS POLB 1989/4885NPC1 2206/4885ALDH1A1 1985/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 POLB 2191/4885NPC1 2030/4885ALDH1A1 2020/4885

“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.