SCHEMBL282624

SCHEMBL282624

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.61
KDR P35968 12/20 0.48
BRAF P15056 4/20 0.48
RIPK1 Q13546 1/20 0.46
RAF1 P04049 3/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
FLT3 P36888 2/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
FRK P42685 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2D Q13557 1/20 0.44
NTRK3 Q16288 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
AURKB Q96GD4 1/20 0.44
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL281698 0.90 RAF1 (0.50) CDK8KDRBRAFRAF1FLT3
SCHEMBL282579 0.90 CDK8 (0.61) CDK8KDRBRAFRAF1FLT3
SCHEMBL10073789 0.83 CSF1R (0.57) CDK8KDRBRAFFLT3CSF1R
SCHEMBL717713 0.79 ICAM1 (0.51) CDK8FLT4CSF1RHIPK4
SCHEMBL281915 0.78 CDK8 (0.48) CDK8KDRBRAFRAF1FLT3
SCHEMBL282625 0.77 CDK8 (0.61) CDK8KDRBRAFRIPK1RAF1
SCHEMBL939171 0.76 CDK8 (0.70) CDK8KDRBRAFRIPK1RAF1
SCHEMBL28863252 0.76 CDK8 (1.00) CDK8KDRBRAF
SCHEMBL282376 0.76 CDK8 (0.61) CDK8KDRBRAFRAF1FLT3
SCHEMBL282422 0.73 ICAM1 (0.50) CDK8FLT4HIPK4

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 CDK8 2787/4885KDR 3633/4885BRAF 1216/4885

“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.