SCHEMBL100566

SCHEMBL100566

CCc1nc2c(N(C)C)nc(SCc3ccc(OC)c(F)c3)nc2n1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
METAP2 P50579 2/20 0.37
GSK3B P49841 2/20 0.34
DBH P09172 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL98783 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL98718 0.86 GSK3B (0.36) ALDH1A1L3MBTL1GSK3BLMNAGAA
SCHEMBL98337 0.84 NPC1 (0.47) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL99317 0.83 MAPT (0.38) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL99070 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL98394 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL1620494 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL171138 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL100625 0.78 TDP1 (0.39) ALDH1A1L3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL100369 0.78 ALDH1A1 (0.39) 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 11 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

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.