SCHEMBL13857438

SCHEMBL13857438

Cc1cc(Nc2cc(Nc3cccc(NC(=O)c4cnccc4F)c3)ncn2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ MET P08581 3/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ PIP4K2A P48426 1/20 0.42
▸ PIP4K2B P78356 1/20 0.42
▸ BTK Q06187 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BLK P51451 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41

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
SCHEMBL12262294 0.88 L3MBTL1 (0.53) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL14773096 0.86 CCNT1 (0.42) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL13857436 0.85 EGFR (0.42) EGFRERBB3PIP4K2APIP4K2BMAPT
SCHEMBL13857445 0.85 PIP4K2A (0.44) BRAFEGFRERBB3PIP4K2APIP4K2B
SCHEMBL12310571 0.82 GRM5 (0.48) BRAFEGFRERBB3PIP4K2APIP4K2B
SCHEMBL13857437 0.80 EGFR (0.41) EGFRERBB3PIP4K2APIP4K2BMAPT
SCHEMBL13857439 0.80 GRM4 (0.42) EGFRERBB3PIP4K2APIP4K2BMAPT
SCHEMBL13857443 0.74 MET (0.47) EGFRMETERBB3
SCHEMBL12310628 0.73 BACE1 (0.45) BRAFEGFRMETERBB3
SCHEMBL12434248 0.73 EGFR (0.46) EGFRERBB3MAPTLMNATP53

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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — 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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BRAF 2009/4885CCNT1 4285/4885CCNE1 4074/4885

“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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