SCHEMBL98337

SCHEMBL98337

CCc1nc2c(N(C)C)nc(SCc3ccc(OC)cc3)nc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
CTSB P07858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DAO P14920 1/20 0.37
APP P05067 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM1A O60341 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL99532 0.92 NPC1 (0.43) NPC1RAB9ACTSBALDH1A1LMNA
SCHEMBL99392 0.90 NPC1 (0.44) NPC1RAB9ACTSBALDH1A1LMNA
SCHEMBL98783 0.84 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNAL3MBTL1
SCHEMBL100566 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1LMNAL3MBTL1
SCHEMBL98718 0.81 GSK3B (0.36) ALDH1A1LMNAL3MBTL1GAAHTT
SCHEMBL97584 0.80 CCNE2 (0.46) NPC1RAB9ACTSBALDH1A1LMNA
SCHEMBL99317 0.79 MAPT (0.38) ALDH1A1LMNAL3MBTL1GAAKMT2A
SCHEMBL171640 0.79 CCNE2 (0.44) NPC1RAB9ACTSBALDH1A1LMNA
SCHEMBL98161 0.78 L3MBTL1 (0.34) ALDH1A1LMNAL3MBTL1GAAHTT
SCHEMBL98635 0.78 ALDH1A1 (0.52) NPC1RAB9AALDH1A1LMNAL3MBTL1

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
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
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 NPC1 1489/4885RAB9A 2254/4885CTSB 3481/4885

“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.