SCHEMBL98783

SCHEMBL98783

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
GAA P10253 2/20 0.36
PAK4 O96013 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 3/20 0.32
GFER P55789 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX12 P18054 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
SCHEMBL100566 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1GAALMNAHTT
SCHEMBL98718 0.86 GSK3B (0.36) ALDH1A1L3MBTL1GAALMNAHTT
SCHEMBL98337 0.84 NPC1 (0.47) ALDH1A1L3MBTL1GAAPAK4LMNA
SCHEMBL99317 0.83 MAPT (0.38) ALDH1A1L3MBTL1GAALMNASMN1; SMN2
SCHEMBL99660 0.82 GAA (0.38) ALDH1A1L3MBTL1GAAPAK4LMNA
SCHEMBL171639 0.81 PAK4 (0.36) ALDH1A1L3MBTL1GAAPAK4LMNA
SCHEMBL98628 0.81 PDE4A (0.37) ALDH1A1L3MBTL1GAAPAK4LMNA
SCHEMBL98098 0.80 PIK3CA (0.49) ALDH1A1L3MBTL1GAALMNAHTT
SCHEMBL171439 0.79 SMN1; SMN2 (0.35) ALDH1A1L3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL97698 0.78 GAA (0.39) ALDH1A1L3MBTL1GAALMNASMN1; SMN2

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 ALDH1A1 336/4885L3MBTL1 4172/4885GAA 1224/4885

“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.