SCHEMBL98435

SCHEMBL98435

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(OC)c(C#N)c3)nc2n1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.41
KIT P10721 4/20 0.41
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
GSK3B P49841 1/20 0.38
CLK1 P49759 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDGFRB P09619 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL97922 0.91 PIK3CA (0.43) CSF1RKITPDE10AALDH1A1NPSR1
SCHEMBL98835 0.88 ALDH1A1 (0.45) CSF1RKITPDE10AALDH1A1NPSR1
SCHEMBL99679 0.88 PDE10A (0.41) PDE10AALDH1A1NPSR1HPGDTSHR
SCHEMBL97923 0.88 PDE10A (0.41) PDE10AALDH1A1NPSR1HPGDTSHR
SCHEMBL97713 0.83 PDE10A (0.42) PDE10AALDH1A1NPSR1HPGDHTT
SCHEMBL97311 0.83 PDE10A (0.42) PDE10AALDH1A1NPSR1HPGDHSD17B10
SCHEMBL97775 0.82 CSF1R (0.42) CSF1RKITALDH1A1NPSR1HPGD
SCHEMBL95758 0.80 PIK3CA (0.46) PDE10AALDH1A1NPSR1PDE4APDE4B
SCHEMBL97744 0.80 PIK3CA (0.45) PDE10AALDH1A1NPSR1PDE4APDE4B
SCHEMBL97915 0.79 ALDH1A1 (0.46) PDE10AALDH1A1NPSR1HPGDTSHR

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
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 CSF1R 2848/4885KIT 398/4885PDE10A 775/4885

“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.