SCHEMBL97846

SCHEMBL97846

COc1ccc(CSc2nc(NC(C)=O)c3ncn(C)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 1/20 0.43
CDK5 Q00535 6/20 0.41
CDK5R1 Q15078 6/20 0.41
KDM4E B2RXH2 1/20 0.41
DAO P14920 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
CTSB P07858 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
SCHEMBL16556644 0.89 ADORA3 (0.41) CCNE2CCNE1CDK2ADORA3
SCHEMBL98749 0.86 CCNE2 (0.54) CCNE2CCNE1CDK2MAPTPOLB
SCHEMBL99099 0.84 CCNE2 (0.57) CCNE2CCNE1CDK2POLBCTSB
SCHEMBL99387 0.82 CCNE1 (0.49) CCNE2CCNE1CDK2ADORA3ADORA1
SCHEMBL97640 0.81 CCNE2 (0.41) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL99854 0.81 CCNE2 (0.53) CCNE2CCNE1CDK2KDM4EMAPT
SCHEMBL97934 0.78 CCNE2 (0.46) CCNE2CCNE1CDK2KDM4EDAO
SCHEMBL97584 0.78 CCNE2 (0.46) CCNE2CCNE1CDK2KDM4EDAO
SCHEMBL98797 0.77 CCNE2 (0.45) CCNE2CCNE1CDK2KDM4EDAO
SCHEMBL100715 0.77 CCNE2 (0.47) CCNE2CCNE1CDK2KDM4EDAO

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
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
WO-2010126101-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME 全薬工業株式会社 (JP) 2010-11-04 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-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.