SCHEMBL4317539

SCHEMBL4317539

Cc1ccsc1C(=O)Nc1cc(CN2CCC(N3CCOCC3)CC2)ccc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 7/20 0.66
▸ AURKA O14965 7/20 0.66
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ INSR P06213 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL4317531 1.00 AURKB (0.66) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989031 0.93 AURKB (0.72) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989033 0.93 AURKB (0.72) AURKBAURKACDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL4314042 0.92 AURKB (0.71) AURKBAURKACDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL4314035 0.92 AURKB (0.71) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989352 0.92 AURKB (0.70) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989354 0.92 AURKB (0.70) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989290 0.89 AURKB (0.52) AURKBAURKACDK1CCNB1CDK2
SCHEMBL4313197 0.88 AURKA (0.74) AURKBAURKACDK5CDK5R1MAP4K4
SCHEMBL4313205 0.88 AURKA (0.74) AURKBAURKACDK5CDK5R1MAP4K4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP claimed
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 — — US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 — — 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 AURKB 3438/4885AURKA 3687/4885CDK1 1287/4885

“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.

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