SCHEMBL282244

SCHEMBL282244

COc1ccc2nc(Oc3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.55
KDR P35968 10/20 0.53
HSD17B10 Q99714 1/20 0.51
BRAF P15056 3/20 0.49
RAF1 P04049 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 2/20 0.47
TNNI3K Q59H18 2/20 0.47
TEK Q02763 1/20 0.46

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
SCHEMBL717224 0.89 KDR (0.63) CDK8KDRBRAFRAF1TRPV1
SCHEMBL282139 0.89 RAF1 (0.54) CDK8KDRHSD17B10BRAFRAF1
SCHEMBL282706 0.85 KDR (0.61) CDK8KDRBRAFRAF1TRPV1
SCHEMBL16507605 0.81 CDK8 (0.61) CDK8KDRBRAFRAF1MAPK14
SCHEMBL282377 0.79 CDK8 (0.58) CDK8KDRBRAFRAF1MAPK14
SCHEMBL282243 0.79 KDR (0.66) CDK8KDRBRAFMAPK14TNNI3K
SCHEMBL718280 0.78 PLA2G10 (0.49) HSD17B10MAPTNPC1HTTRAB9A
SCHEMBL15141035 0.75 KDR (0.59) CDK8KDRBRAFRAF1MAPT
SCHEMBL939171 0.75 CDK8 (0.70) CDK8KDRBRAFRAF1MAPK14
SCHEMBL15141243 0.75 KDR (0.55) CDK8KDRBRAFRAF1

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 CDK8 2787/4885KDR 3633/4885HSD17B10 1021/4885

“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.