SCHEMBL22304232

SCHEMBL22304232

CC(C)c1ncnc2[nH]c(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.36
▸ JAK3 P52333 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ KIT P10721 4/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ FFAR2 O15552 1/20 0.31

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
SCHEMBL22490018 0.78 CIT (0.38) EGFRJAK3
SCHEMBL21620553 0.76 TRPA1 (0.38) EGFRJAK3JAK1KITTRPA1
SCHEMBL4569236 0.68 FFAR2 (0.33) JAK3FFAR2
SCHEMBL10105611 0.67 FFAR2 (0.32) FFAR2
SCHEMBL12120591 0.67 JAK3 (0.59) JAK3JAK1TRPA1
SCHEMBL2611044 0.67 RET (0.55) —
SCHEMBL20857341 0.67 IRAK4 (0.39) EGFRKITTRPA1
SCHEMBL29975653 0.67 JAK3 (0.59) JAK3JAK1TRPA1
SCHEMBL18868081 0.66 IRAK4 (0.41) TRPA1
SCHEMBL20609574 0.64 USP10 (0.45) EGFR

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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 — — 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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK EGFR 144/4885JAK3 1720/4885JAK1 1412/4885

“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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