SCHEMBL97775

SCHEMBL97775

COc1ccc(CSc2nc(N3CCOCC3)c3ncn(C)c3n2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.42
KIT P10721 3/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
GSK3B P49841 1/20 0.40
CLK1 P49759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL98736 0.88 ALDH1A1 (0.46) CSF1RKITALDH1A1PIK3CANPSR1
SCHEMBL99087 0.88 PIK3CA (0.46) ALDH1A1HPGDPIK3CANPSR1HTT
SCHEMBL98898 0.87 GSK3B (0.35) CSF1RKITALDH1A1HPGDHSD17B10
SCHEMBL130580 0.86 GSK3B (0.39) CSF1RKITALDH1A1HPGDHSD17B10
SCHEMBL97922 0.85 PIK3CA (0.43) CSF1RKITALDH1A1HPGDHSD17B10
SCHEMBL98381 0.84 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TSHRPIK3CA
SCHEMBL98435 0.82 CSF1R (0.41) CSF1RKITALDH1A1HPGDHSD17B10
SCHEMBL98827 0.82 PIK3CA (0.46) ALDH1A1HPGDHSD17B10TSHRPIK3CA
SCHEMBL98972 0.81 YTHDC1 (0.41) PDE4APDE4BPDE4CPDE4DGSK3B
SCHEMBL98560 0.81 GSK3B (0.37) CSF1RKITALDH1A1HTTGSK3B

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 CSF1R 2848/4885KIT 398/4885ALDH1A1 336/4885

“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.