SCHEMBL4317945

SCHEMBL4317945

Cc1ccsc1C(=O)Nc1ccc(N2CCC(S(C)(=O)=O)CC2)cc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.53
▸ AURKB Q96GD4 7/20 0.53
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL4317953 1.00 AURKA (0.53) AURKAAURKBNPC1RAB9AHTR1A
Hydrochloric Acid SCHEMBL4308233 0.99 AURKA (0.52) AURKAAURKBNPC1RAB9AHTR1A
Hydrochloric Acid SCHEMBL4308237 0.99 AURKA (0.52) AURKAAURKBNPC1RAB9AHTR1A
SCHEMBL4321496 0.89 AURKA (0.53) AURKAAURKBNPC1RAB9AHTR1A
SCHEMBL4321500 0.89 AURKA (0.53) AURKAAURKBNPC1RAB9AHTR1A
Hydrochloric Acid SCHEMBL4311013 0.87 AURKA (0.52) AURKAAURKBNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4311017 0.87 AURKA (0.52) AURKAAURKBNPC1RAB9AMEN1
SCHEMBL4319736 0.84 AURKA (0.58) AURKAAURKBNPC1RAB9AMAPT
SCHEMBL4319741 0.84 AURKA (0.58) AURKAAURKBNPC1RAB9AMAPT
SCHEMBL4315086 0.84 AURKA (0.59) AURKAAURKBNPC1RAB9AMEN1

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
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 — — CN 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
CN-101111483-A IGF-1R inhibitors KYOWA HAKKO KOGYO KK (JP) 2008-01-23 — — CN 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 AURKA 3687/4885AURKB 3438/4885NPC1 2575/4885

“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.

Send feedback