SCHEMBL281955

SCHEMBL281955

O=C(Nc1ccc(Oc2ncc3ccc(F)cc3n2)cc1)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.55
CDK8 P49336 7/20 0.49
KDR P35968 5/20 0.44
BRAF P15056 2/20 0.44
TEK Q02763 1/20 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
SCHEMBL282550 0.90 CDK8 (0.61) RAF1CDK8KDRBRAFTEK
SCHEMBL282309 0.89 CDK8 (0.61) RAF1CDK8KDRBRAFTEK
SCHEMBL281927 0.84 CDK8 (0.58) RAF1CDK8KDRBRAFTEK
SCHEMBL4939336 0.79 RAF1 (0.63) RAF1CDK8KDRBRAFTEK
SCHEMBL719185 0.79 HSD17B10 (0.48) CDK8KDR
SCHEMBL281954 0.79 CSF1R (0.70) RAF1KDRBRAF
SCHEMBL282288 0.78 RAF1 (0.64) RAF1CDK8KDRBRAFTEK
SCHEMBL22092704 0.77 MAPT (0.59) RAF1KDR
SCHEMBL29494958 0.77 MAPT (0.59) RAF1KDR
SCHEMBL281946 0.76 SRC (0.49) RAF1CDK8KDRBRAFTEK

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
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
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 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-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 RAF1 955/4885CDK8 2787/4885KDR 3633/4885

“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.