SCHEMBL13857445

SCHEMBL13857445

Cc1cc(Nc2cc(Nc3cccc(NC(=O)c4cccnc4F)c3)ncn2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 3/20 0.44
▸ PIP4K2B P78356 3/20 0.44
▸ EGFR P00533 4/20 0.43
▸ LCLAT1 Q6UWP7 1/20 0.43
▸ ERBB3 P21860 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 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
SCHEMBL12262298 0.88 FADS1 (0.50) EGFRLCLAT1ERBB3GRM4MEN1
SCHEMBL14773074 0.85 LCLAT1 (0.42) PIP4K2APIP4K2BEGFRLCLAT1ERBB3
SCHEMBL13857438 0.85 BRAF (0.44) PIP4K2APIP4K2BEGFRERBB3MAPT
SCHEMBL13857436 0.84 EGFR (0.42) PIP4K2APIP4K2BEGFRERBB3MEN1
SCHEMBL13857437 0.83 EGFR (0.41) PIP4K2APIP4K2BEGFRERBB3MEN1
SCHEMBL13857439 0.82 GRM4 (0.42) PIP4K2APIP4K2BEGFRERBB3GRM4
SCHEMBL12310571 0.81 GRM5 (0.48) PIP4K2APIP4K2BEGFRERBB3GRM4
SCHEMBL12310575 0.75 PIP4K2A (0.70) PIP4K2APIP4K2BEGFRERBB4
SCHEMBL13857443 0.75 MET (0.47) EGFRERBB3ERBB4TUBB4ATUBB
SCHEMBL12310628 0.74 BACE1 (0.45) EGFRERBB3ERBB4TUBB4ATUBB

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 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885

“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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