SCHEMBL282579

SCHEMBL282579

Nc1ccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cncc2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.61
KDR P35968 6/20 0.58
RAF1 P04049 4/20 0.57
BRAF P15056 5/20 0.55
KIT P10721 2/20 0.55
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
FGFR2 P21802 1/20 0.55
FLT3 P36888 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL282624 0.90 CDK8 (0.61) CDK8KDRRAF1BRAFKIT
SCHEMBL281698 0.89 RAF1 (0.50) CDK8KDRRAF1BRAFKIT
SCHEMBL281915 0.87 CDK8 (0.48) CDK8KDRRAF1BRAFKIT
SCHEMBL10073789 0.82 CSF1R (0.57) CDK8KDRBRAFPDGFRAFLT3
SCHEMBL717713 0.79 ICAM1 (0.51) CDK8
SCHEMBL282580 0.78 KDR (0.66) CDK8KDRRAF1BRAFKIT
SCHEMBL21357120 0.78 CDK8 (0.70) CDK8KDRRAF1BRAFKIT
SCHEMBL618575 0.77 KDR (0.82) CDK8KDRKITTRPV1CA1
SCHEMBL936533 0.77 RAF1 (0.73) CDK8KDRRAF1BRAFKIT
SCHEMBL30462521 0.77 RAF1 (0.73) CDK8KDRRAF1BRAFKIT

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 CDK8 2787/4885KDR 3633/4885RAF1 955/4885

“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.