SCHEMBL14773111

SCHEMBL14773111

N#Cc1cccc(C(=O)Nc2cccc(Nc3cc(Nc4ccc(F)c(CI)c4)ncn3)c2)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.40
▸ EGFR P00533 5/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ ERBB3 P21860 2/20 0.38
▸ MAP3K8 P41279 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.37
▸ PIP4K2A P48426 3/20 0.37
▸ PIP4K2B P78356 3/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ JAK3 P52333 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL14773110 0.86 LCK (0.47) GRM4EGFRERBB3LCKKDR
SCHEMBL13857439 0.86 GRM4 (0.42) GRM4EGFRAURKAAURKBERBB3
SCHEMBL12262295 0.86 MAP3K8 (0.49) GRM4EGFRAURKAERBB3MAP3K8
SCHEMBL14773074 0.83 LCLAT1 (0.42) EGFRERBB3SGMS2PIP4K2APIP4K2B
SCHEMBL14773113 0.83 KMT2A (0.42) EGFRERBB3POLBALDH1A1LMNA
SCHEMBL14773096 0.81 CCNT1 (0.42) EGFRERBB3SGMS2PIP4K2APIP4K2B
SCHEMBL14773100 0.79 EGFR (0.47) EGFRALDH1A1KDRLMNA
SCHEMBL14773095 0.78 BACE1 (0.42) EGFRERBB3ERBB4JAK3KDR
SCHEMBL14773072 0.77 EGFR (0.63) EGFRJAK3JAK1
SCHEMBL14773112 0.73 MET (0.46) EGFRERBB3ERBB4JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM4 3866/4885EGFR 1981/4885AURKA 1849/4885

“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.

Send feedback