SCHEMBL12431497

SCHEMBL12431497

C=CS(=O)(=O)Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ EGFR P00533 8/20 0.55
▸ ERBB4 Q15303 1/20 0.55
▸ TNNI3K Q59H18 4/20 0.51
▸ BTK Q06187 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ SRC P12931 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AURKA O14965 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ AR P10275 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL12262247 0.87 KDR (0.51) THRBEGFRERBB4TNNI3KBTK
SCHEMBL1387447 0.82 THRB (0.80) THRBEGFRERBB4TNNI3KKDM4E
SCHEMBL691634 0.82 TNNI3K (0.59) EGFRTNNI3KSRCLRRK2
SCHEMBL2203654 0.80 EGFR (0.47) EGFRTNNI3KSRCLRRK2AURKA
SCHEMBL12431488 0.79 EGFR (0.69) THRBEGFRERBB4TNNI3KBTK
SCHEMBL14772971 0.77 EGFR (0.45) EGFRTNNI3KBTKSRCLRRK2
SCHEMBL374332 0.76 THRB (0.74) THRBEGFRERBB4TNNI3KKDM4E
SCHEMBL18169574 0.76 SRC (0.49) EGFRTNNI3KKDM4ESRCLRRK2
SCHEMBL12517871 0.75 TNNI3K (0.85) EGFRTNNI3KMAPT
SCHEMBL4239042 0.75 THRB (0.68) THRBEGFRERBB4TNNI3KBTK

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-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 — — US disclosed
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 — — US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — US disclosed
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 THRB 3244/4885EGFR 1981/4885ERBB4 1903/4885

“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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