SCHEMBL14769663

SCHEMBL14769663

C=CC(=O)Cc1cccc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
TNNI3K Q59H18 5/20 0.56
MAPK14 Q16539 4/20 0.56
BRAF P15056 2/20 0.56
EGFR P00533 6/20 0.49
ERBB2 P04626 4/20 0.49
MAP2K7 O14733 6/20 0.49
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.44
KCNH2 Q12809 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 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
SCHEMBL690536 0.82 MAP2K7 (0.69) KDRTNNI3KMAPK14BRAFEGFR
SCHEMBL8219021 0.75 NPC1 (0.58) KDRTNNI3KEGFRMAP2K7ABL1
SCHEMBL12262588 0.75 EGFR (0.51) KDRTNNI3KMAPK14BRAFEGFR
SCHEMBL12262347 0.74 MAP2K7 (0.57) KDRTNNI3KEGFRERBB2MAP2K7
SCHEMBL691113 0.74 EGFR (0.67) EGFRERBB2MAP2K7JAK3BTK
SCHEMBL22528777 0.73 CSF1R (0.65) KDRTNNI3KMAPK14BRAFEGFR
SCHEMBL13148414 0.73 KDR (0.53) KDRTNNI3KMAPK14BRAFMAP2K7
SCHEMBL692807 0.72 EGFR (0.68) EGFRERBB2MAP2K7JAK3BTK
SCHEMBL1897213 0.72 KDR (0.80) KDRTNNI3KMAPK14BRAF
SCHEMBL22592397 0.71 KDR (0.49) KDRTNNI3KMAPK14BRAFEGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDR 2602/4885TNNI3K 3700/4885MAPK14 4829/4885

“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.