SCHEMBL99180

SCHEMBL99180

COc1ccc(CSc2nc(-c3cccs3)c3ncn(C)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
USP2 O75604 8/20 0.40
CYP1A2 P05177 8/20 0.40
CASP1 P29466 8/20 0.40
CASP7 P55210 8/20 0.40
CYP3A4 P08684 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HIF1A Q16665 4/20 0.40
CYP2C9 P11712 4/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 3/20 0.40
NR1H4 Q96RI1 1/20 0.39
CYP2C19 P33261 4/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL98663 0.82 RET (0.46) CCNE2CCNE1CDK2HPGDNPC1
SCHEMBL98438 0.80 ADORA2A (0.56) CCNE2CCNE1CDK2USP2CASP1
SCHEMBL98156 0.78 MET (0.43) CCNE2CCNE1CDK2ALDH1A1NPC1
SCHEMBL97721 0.78 CCNE2 (0.41) CCNE2CCNE1CDK2ALDH1A1HPGD
SCHEMBL1678685 0.77 CCNE2 (0.41) CCNE2CCNE1CDK2USP2ALDH1A1
SCHEMBL97733 0.77 CCNE2 (0.44) CCNE2CCNE1CDK2USP2ALDH1A1
SCHEMBL98749 0.77 CCNE2 (0.54) CCNE2CCNE1CDK2ALDH1A1HPGD
SCHEMBL97934 0.77 CCNE2 (0.46) CCNE2CCNE1CDK2ALDH1A1HSD17B10
SCHEMBL97584 0.77 CCNE2 (0.46) CCNE2CCNE1CDK2ALDH1A1TSHR
SCHEMBL96477 0.77 BRD4 (0.41) CCNE2CCNE1CDK2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US claimed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP claimed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US claimed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP claimed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD CCNE2 3736/4885CCNE1 1574/4885CDK2 1086/4885

“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.