SCHEMBL22139066

SCHEMBL22139066

O=c1[nH]c2nc(S)ncc2cc1Oc1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.60
▸ MAPK8 P45983 10/20 0.43
▸ TRPA1 O75762 2/20 0.41
▸ RPS6KA4 O75676 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ MAPK11 Q15759 2/20 0.40
▸ NLK Q9UBE8 2/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ GAK O14976 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ COQ8A Q8NI60 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ STK36 Q9NRP7 1/20 0.39

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
SCHEMBL29537119 0.82 MAPK14 (0.57) MAPK14MAPK8TRPA1RPS6KA4MAPK9
SCHEMBL13239748 0.82 MAPK14 (0.57) MAPK14MAPK8TRPA1RPS6KA4MAPK9
SCHEMBL14266291 0.81 MAPK14 (0.56) MAPK14MAPK8TRPA1MAPK9MAPK10
SCHEMBL14266337 0.77 MAPK14 (0.58) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL21621158 0.77 MAPK14 (0.67) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL29593402 0.77 MAPK14 (0.52) MAPK14MAPK8MAPK1
SCHEMBL14266338 0.77 MAPK14 (0.58) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL14038746 0.74 MAPK14 (0.72) MAPK14MAPK8RPS6KA4MAPK9RPS6KA3
SCHEMBL5202525 0.71 MAPK14 (0.45) MAPK14TRPA1MAP4K4
SCHEMBL25228119 0.69 BRD4 (0.45) MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-30 — — US disclosed
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2020-06-25 — — 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 (2 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-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use EGFR, ERBB2, ERBB3 MAPK14 219/4885MAPK8 231/4885TRPA1 4282/4885
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE EGFR, ERBB2, ERBB3 MAPK14 219/4885MAPK8 231/4885TRPA1 4282/4885

“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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