SCHEMBL100590

SCHEMBL100590

CCN(C)c1nc(SCc2ccc(OC)c(F)c2)nc2c1ncn2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
GFER P55789 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
METAP2 P50579 1/20 0.37
CDK1 P06493 1/20 0.35
CDK5 Q00535 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL99070 0.92 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL100230 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL97857 0.89 GAA (0.36) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL98983 0.86 GSK3B (0.36) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL97557 0.84 CCNE2 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL97882 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL98024 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL16556629 0.82 CDK1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL99660 0.80 GAA (0.38) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL97385 0.79 GAA (0.36) ALDH1A1L3MBTL1TDP1SMN1; SMN2MAPT

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 4172/4885TDP1 194/4885

“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.