SCHEMBL100625

SCHEMBL100625

CCc1nc2c(N3CCN(N=O)CC3)nc(SCc3ccc(OC)c(F)c3)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
GSK3B P49841 2/20 0.34
GPR6 P46095 1/20 0.33
MAPT P10636 2/20 0.33
METAP2 P50579 1/20 0.33
PKM P14618 1/20 0.33
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL98394 0.87 ALDH1A1 (0.45) TDP1ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL1620494 0.87 ALDH1A1 (0.41) TDP1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL100364 0.86 NPC1 (0.39) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL1679999 0.80 PIK3CA (0.43) ALDH1A1L3MBTL1PIK3CAKDM4EHDAC1
SCHEMBL100369 0.80 ALDH1A1 (0.39) TDP1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL100087 0.80 PIK3CA (0.46) ALDH1A1L3MBTL1MAPK1MAPTPIK3CA
SCHEMBL95758 0.79 PIK3CA (0.46) ALDH1A1L3MBTL1PIK3CAKDM4EHDAC1
SCHEMBL98835 0.78 ALDH1A1 (0.45) TDP1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL100566 0.78 ALDH1A1 (0.44) TDP1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL97744 0.78 PIK3CA (0.45) TDP1ALDH1A1L3MBTL1SMN1; SMN2GFER

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 9 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
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 TDP1 194/4885ALDH1A1 336/4885L3MBTL1 4172/4885

“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.