SCHEMBL282580

SCHEMBL282580

Nc1ccc2ccnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.66
RAF1 P04049 6/20 0.62
KIT P10721 3/20 0.62
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
FGFR2 P21802 2/20 0.62
FLT3 P36888 2/20 0.62
CDK8 P49336 4/20 0.61
TRPV1 Q8NER1 1/20 0.61
BRAF P15056 6/20 0.59
MEN1 O00255 1/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
AURKA O14965 1/20 0.57
MUSK O15146 1/20 0.57
EPHB6 O15197 1/20 0.57
MAPK13 O15264 1/20 0.57
MLNR O43193 1/20 0.57
MAP3K7 O43318 1/20 0.57
RIPK2 O43353 1/20 0.57

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
SCHEMBL281916 0.96 KDR (0.62) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL282625 0.90 CDK8 (0.61) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL281699 0.89 RAF1 (0.57) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL4344749 0.79 RAF1 (0.78) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL936533 0.79 RAF1 (0.73) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL717714 0.79 CSF1R (0.49) KDRPDGFRAFLT3CSF1R
SCHEMBL30462521 0.79 RAF1 (0.73) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL282579 0.78 CDK8 (0.61) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL2936061 0.78 KDR (0.69) KDRRAF1KITPDGFRBPDGFRA
SCHEMBL3711970 0.77 RAF1 (0.77) KDRRAF1KITPDGFRBPDGFRA

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
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
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 KDR 3633/4885RAF1 955/4885KIT 370/4885

“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.