SCHEMBL14773096

SCHEMBL14773096

O=C(Nc1cccc(Nc2cc(Nc3ccc(F)c(CI)c3)ncn2)c1)c1cnccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ EGFR P00533 5/20 0.41
▸ MET P08581 3/20 0.41
▸ ERBB3 P21860 2/20 0.41
▸ CYP11B2 P19099 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39
▸ PIP4K2A P48426 3/20 0.39
▸ PIP4K2B P78356 3/20 0.39
▸ BTK Q06187 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL14773074 0.86 LCLAT1 (0.42) EGFRMETERBB3CYP11B2CYP11B1
SCHEMBL13857438 0.86 BRAF (0.44) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL12262294 0.86 L3MBTL1 (0.53) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL14773110 0.84 LCK (0.47) EGFRERBB3LCKKDRTEK
SCHEMBL14773100 0.83 EGFR (0.47) CCNT1CDK9EGFRKDR
SCHEMBL14773111 0.81 GRM4 (0.40) EGFRERBB3ERBB4SGMS2PIP4K2A
SCHEMBL14773113 0.81 KMT2A (0.42) CCNT1CDK9EGFRERBB3
SCHEMBL14773072 0.80 EGFR (0.63) EGFRBTKJAK3
SCHEMBL14773095 0.76 BACE1 (0.42) EGFRMETERBB3ERBB4BTK
SCHEMBL14773112 0.76 MET (0.46) EGFRMETERBB3ERBB4JAK3

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 CCNT1 4285/4885CCNE1 4074/4885CDK2 1007/4885

“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.

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