SCHEMBL5693192

SCHEMBL5693192

[CH]=Cc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ GAA P10253 2/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ IDO1 P14902 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ALPL P05186 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL561564 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL31190846 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL730639 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7331545 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL14412480 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29643994 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7331167 0.79 KDM4E (0.57) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7329986 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL298966 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL13665430 0.78 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 — — US claimed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 — — EP claimed
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 — — CN disclosed
CN-101111483-A IGF-1R inhibitors KYOWA HAKKO KOGYO KK (JP) 2008-01-23 — — CN disclosed
US-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 — — US disclosed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 — — 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-20060281789-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K19 KDM4E 1355/4885GAA 3649/4885PDPK1 176/4885

“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