SCHEMBL99070

SCHEMBL99070

COc1ccc(CSc2nc(N(C)C)c3ncn(C)c3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
GFER P55789 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
METAP2 P50579 1/20 0.38
GRM1 Q13255 1/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 1/20 0.35
DBH P09172 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
SCHEMBL100230 0.92 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL100590 0.92 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL99660 0.88 GAA (0.38) ALDH1A1L3MBTL1SMN1; SMN2TDP1MAPT
SCHEMBL98560 0.85 GSK3B (0.37) ALDH1A1L3MBTL1SMN1; SMN2TDP1MAPT
SCHEMBL98024 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL97584 0.83 CCNE2 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL97882 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL100566 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL99695 0.81 MAPT (0.35) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL97385 0.80 GAA (0.36) ALDH1A1L3MBTL1SMN1; SMN2TDP1MAPT

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
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
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 ALDH1A1 336/4885L3MBTL1 4172/4885SMN1; SMN2 2974/4885

“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.