SCHEMBL281699

SCHEMBL281699

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.57
KDR P35968 8/20 0.52
FLT3 P36888 2/20 0.49
KIT P10721 2/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
FGFR2 P21802 1/20 0.49
CDK8 P49336 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
CSF1R P07333 1/20 0.46
BRAF P15056 3/20 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
SCHEMBL282625 0.90 CDK8 (0.61) RAF1KDRFLT3KITPDGFRB
SCHEMBL282580 0.89 KDR (0.66) RAF1KDRFLT3KITPDGFRB
SCHEMBL281916 0.86 KDR (0.62) RAF1KDRFLT3KITPDGFRB
SCHEMBL4939336 0.80 RAF1 (0.63) RAF1KDRFLT3KITPDGFRB
SCHEMBL717714 0.79 CSF1R (0.49) KDRFLT3PDGFRACSF1R
SCHEMBL3181311 0.79 RAF1 (0.70) RAF1KDRFLT3KITPDGFRB
SCHEMBL281698 0.78 RAF1 (0.50) RAF1KDRFLT3KITPDGFRB
SCHEMBL548328 0.76 RAF1 (0.79) RAF1KDRFLT3KITPDGFRB
SCHEMBL281954 0.76 CSF1R (0.70) RAF1KDRFLT3KITPDGFRB
SCHEMBL4933174 0.75 KDR (0.70) RAF1KDRFLT3KITPDGFRB

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 955/4885KDR 3633/4885FLT3 19/4885

“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.