SCHEMBL97882

SCHEMBL97882

CCNc1nc(SCc2ccc(OC)c(F)c2)nc2c1ncn2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
GGPS1 O95749 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
METAP2 P50579 1/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM4 P08173 1/20 0.37

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
SCHEMBL98024 0.90 ALDH1A1 (0.46) ALDH1A1L3MBTL1CCNE2CCNE1CDK2
SCHEMBL97697 0.89 CCNE2 (0.42) CCNE2CCNE1CDK2IKBKBCHUK
SCHEMBL97709 0.87 CCNE2 (0.41) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL99099 0.84 CCNE2 (0.57) CCNE2CCNE1CDK2TDP1NPC1
SCHEMBL100590 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL99070 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL100230 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL98279 0.78 YTHDC1 (0.43) L3MBTL1CCNE2CCNE1CDK2TDP1
SCHEMBL98972 0.78 YTHDC1 (0.41) CCNE2CCNE1CDK2NPC1RAB9A
SCHEMBL98736 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1

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 ALDH1A1 336/4885L3MBTL1 4172/4885CCNE2 3736/4885

“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.