SCHEMBL282139

SCHEMBL282139

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.54
HSD17B10 Q99714 2/20 0.50
KDR P35968 6/20 0.48
BRAF P15056 3/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAPK14 Q16539 3/20 0.46
TNNI3K Q59H18 3/20 0.46
CDK8 P49336 1/20 0.45
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
CSNK1D P48730 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL282244 0.89 CDK8 (0.55) RAF1HSD17B10KDRBRAFMAPT
SCHEMBL717224 0.89 KDR (0.63) RAF1KDRBRAFTRPV1MAPK14
SCHEMBL282706 0.84 KDR (0.61) RAF1KDRBRAFTRPV1MAPK14
SCHEMBL282288 0.80 RAF1 (0.64) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL282138 0.79 KDR (0.61) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL718280 0.77 PLA2G10 (0.49) HSD17B10MAPTNPC1RAB9AMEN1
SCHEMBL3181311 0.76 RAF1 (0.70) RAF1KDRBRAFMAPTMAPK14
SCHEMBL4931395 0.75 KDR (0.60) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL4933039 0.74 KDR (0.71) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL4933174 0.74 KDR (0.70) RAF1KDRBRAFMAPK14TNNI3K

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 RAF1 955/4885HSD17B10 1021/4885KDR 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.