SCHEMBL282243

SCHEMBL282243

COc1ccc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.66
PDGFRA P16234 17/20 0.66
BRAF P15056 1/20 0.57
MAPK14 Q16539 1/20 0.57
TNNI3K Q59H18 1/20 0.57
CDK8 P49336 1/20 0.56

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
SCHEMBL282138 0.90 KDR (0.61) KDRPDGFRABRAFMAPK14TNNI3K
SCHEMBL717223 0.90 KDR (0.78) KDRPDGFRABRAF
SCHEMBL10073786 0.83 PDGFRA (0.80) KDRPDGFRA
SCHEMBL282116 0.81 PDGFRA (0.66) KDRPDGFRA
SCHEMBL282377 0.80 CDK8 (0.58) KDRPDGFRABRAFMAPK14TNNI3K
SCHEMBL7482697 0.79 PDGFRA (1.00) KDRPDGFRA
SCHEMBL282244 0.79 CDK8 (0.55) KDRBRAFMAPK14TNNI3KCDK8
SCHEMBL718279 0.78 DDR2 (0.67) KDRPDGFRA
SCHEMBL16506978 0.78 CDK8 (0.56) KDRBRAFCDK8
SCHEMBL282705 0.78 KDR (0.61) KDRPDGFRABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US claimed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP claimed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 US claimed

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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 KDR 3633/4885PDGFRA 1115/4885BRAF 1216/4885

“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.