SCHEMBL281698

SCHEMBL281698

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.50
CDK8 P49336 7/20 0.48
KDR P35968 4/20 0.45
BRAF P15056 3/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
FGFR2 P21802 1/20 0.43
FLT3 P36888 1/20 0.43
CDK7 P50613 1/20 0.41
CDK6 Q00534 1/20 0.41

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) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL282579 0.89 CDK8 (0.61) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL10073789 0.82 CSF1R (0.57) CDK8KDRBRAFPDGFRAFLT3
SCHEMBL717713 0.79 ICAM1 (0.51) CDK8
SCHEMBL281699 0.78 RAF1 (0.57) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL281915 0.77 CDK8 (0.48) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL3181311 0.77 RAF1 (0.70) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL282287 0.76 RAF1 (0.56) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL4939336 0.74 RAF1 (0.63) RAF1CDK8KDRBRAFPDGFRB
SCHEMBL4933174 0.73 KDR (0.70) RAF1CDK8KDRBRAFPDGFRB

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 6 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
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 2787/4885KDR 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.