SCHEMBL4449696

SCHEMBL4449696

Cc1ccccc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
CYP1A2 P05177 2/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
CHEK1 O14757 8/20 0.44
CDK4 P11802 4/20 0.44
CCNA2 P20248 3/20 0.44
CCND1 P24385 3/20 0.44
CDK2 P24941 3/20 0.44
CCND3 P30281 3/20 0.44
CDK1 P06493 2/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL4449691 1.00 RAB9A (0.45) RAB9ACYP1A2TP53CYP2D6TSHR
SCHEMBL4316025 0.81 FGFR1 (0.50) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4316020 0.81 FGFR1 (0.50) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4319809 0.81 PDPK1 (0.50) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL29390098 0.81 CHEK1 (0.64) RAB9ACHEK1CDK4CCNA2CCND1
SCHEMBL4319805 0.81 PDPK1 (0.50) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4312133 0.80 PTGS2 (0.51) CYP1A2CHEK1CDK4CCNA2CCND1
SCHEMBL4318913 0.80 CHEK1 (0.41) CYP1A2CHEK1CDK4CCNA2CCND1
SCHEMBL4318910 0.80 CHEK1 (0.41) CYP1A2CHEK1CDK4CCNA2CCND1
SCHEMBL4312124 0.80 PTGS2 (0.51) CYP1A2CHEK1CDK4CCNA2CCND1

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 RAB9A 2711/4885CYP1A2 2250/4885TP53 3470/4885

“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.