SCHEMBL281946

SCHEMBL281946

CCc1ccc(NC(=O)Nc2ccc(Oc3ncc4cc(C)c(F)cc4n3)cc2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.49
ABL1 P00519 5/20 0.49
CDK8 P49336 7/20 0.49
RAF1 P04049 5/20 0.45
BRAF P15056 3/20 0.45
KDR P35968 3/20 0.44
CDK2 P24941 2/20 0.44
FGFR4 P22455 2/20 0.44
CDK1 P06493 1/20 0.44
STK25 O00506 1/20 0.44
CIT O14578 1/20 0.44
MAP2K7 O14733 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
GAK O14976 1/20 0.44
CHUK O15111 1/20 0.44
MUSK O15146 1/20 0.44
MAPK13 O15264 1/20 0.44
MAP3K13 O43283 1/20 0.44
DAPK3 O43293 1/20 0.44

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
SCHEMBL282171 0.86 RAF1 (0.44) CDK8RAF1BRAFKDRPDGFRA
SCHEMBL281945 0.80 KDR (0.57) RAF1BRAFKDRCSF1RPDGFRB
SCHEMBL282550 0.79 CDK8 (0.61) CDK8RAF1BRAFKDRTEK
SCHEMBL282309 0.76 CDK8 (0.61) SRCABL1CDK8RAF1BRAF
SCHEMBL281955 0.76 RAF1 (0.55) CDK8RAF1BRAFKDRTEK
SCHEMBL282116 0.74 PDGFRA (0.66) KDRCSF1RRETPDGFRBKIT
SCHEMBL281927 0.73 CDK8 (0.58) SRCABL1CDK8RAF1BRAF
SCHEMBL282377 0.70 CDK8 (0.58) SRCABL1CDK8RAF1BRAF
SCHEMBL16507655 0.69 CDK8 (0.63) SRCABL1CDK8RAF1BRAF
SCHEMBL2794290 0.69 BRAF (0.69) SRCABL1CDK8RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SRC 842/4885ABL1 5/4885CDK8 2787/4885

“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.