SCHEMBL282086

SCHEMBL282086

Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)c[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.60
CDK8 P49336 4/20 0.52
MAPT P10636 4/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 1/20 0.47
BRAF P15056 1/20 0.47
KDR P35968 3/20 0.47
XBP1 P17861 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
SCHEMBL282051 0.88 CDK8 (0.65) RAF1CDK8BRAFKDR
SCHEMBL281947 0.87 CDK8 (0.66) RAF1CDK8MEN1KMT2ABRAF
SCHEMBL3181311 0.81 RAF1 (0.70) RAF1CDK8MAPTMEN1KMT2A
SCHEMBL29494970 0.79 MAPT (0.75) RAF1MAPTHTTNPC1RAB9A
SCHEMBL22092492 0.79 MAPT (0.75) RAF1MAPTHTTNPC1RAB9A
SCHEMBL10073790 0.78 CA12 (0.54) RAF1CDK8MAPTNPC1RAB9A
SCHEMBL22092704 0.78 MAPT (0.59) RAF1MAPTHTTNPC1RAB9A
SCHEMBL29494958 0.78 MAPT (0.59) RAF1MAPTHTTNPC1RAB9A
SCHEMBL22103904 0.75 MAPT (0.72) RAF1MAPTHTTNPC1RAB9A
SCHEMBL282364 0.75 MAPT (0.59) RAF1MAPTHTTNPC1RAB9A

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
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
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 US 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 2787/4885MAPT 4817/4885

“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.