SCHEMBL98718

SCHEMBL98718

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
MAOB P27338 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 3/20 0.35
DCUN1D1 Q96GG9 8/20 0.34
AR P10275 2/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
F11 P03951 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 0.86 ALDH1A1 (0.39) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL100566 0.86 ALDH1A1 (0.44) GSK3BL3MBTL1ALDH1A1LMNAGAA
SCHEMBL98560 0.83 GSK3B (0.37) GSK3BMAOBL3MBTL1ALDH1A1DCUN1D1
SCHEMBL171495 0.82 KDM1A (0.34) GSK3BMAOBL3MBTL1ALDH1A1DCUN1D1
SCHEMBL97922 0.82 PIK3CA (0.43) GSK3BL3MBTL1ALDH1A1CSF1RKIT
SCHEMBL98337 0.81 NPC1 (0.47) L3MBTL1ALDH1A1DCUN1D1LMNAGAA
SCHEMBL99317 0.81 MAPT (0.38) L3MBTL1ALDH1A1LMNAGAA
SCHEMBL99189 0.79 GSK3B (0.38) GSK3BMAOBL3MBTL1ALDH1A1CSF1R
SCHEMBL98983 0.78 GSK3B (0.36) GSK3BMAOBL3MBTL1ALDH1A1DCUN1D1
SCHEMBL98641 0.78 GSK3B (0.39) GSK3BMAOBL3MBTL1ALDH1A1DCUN1D1

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 10 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

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 GSK3B 3410/4885MAOB 2230/4885L3MBTL1 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.