SCHEMBL100715

SCHEMBL100715

CCN(CC)c1nc(SCc2ccc(OC)cc2)nc2c1ncn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.47
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTSB P07858 1/20 0.39
NOS1 P29475 1/20 0.38
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC29A1 Q99808 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM1A O60341 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL97557 0.90 CCNE2 (0.44) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL97584 0.90 CCNE2 (0.46) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL98553 0.89 CCNE2 (0.44) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL97888 0.88 CCNE2 (0.44) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL100247 0.84 CCNE2 (0.41) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL97640 0.84 CCNE2 (0.41) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL168825 0.84 CCNE2 (0.41) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL97934 0.83 CCNE2 (0.46) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL99392 0.83 NPC1 (0.44) NPC1RAB9ACTSBNOS1DAO
SCHEMBL99099 0.81 CCNE2 (0.57) CCNE2CCNE1CDK2NPC1RAB9A

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 12 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
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
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.