SCHEMBL15260940

SCHEMBL15260940

OCC=Cc1ccc(Cl)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
KCNA3 P22001 1/20 0.41
PYGL P06737 7/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
NFE2L2 Q16236 2/20 0.35
CHAT P28329 1/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15229162 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLKCNA3PYGL
SCHEMBL4085701 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4RECQLNFE2L2TRPA1
SCHEMBL2004806 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4RECQLPYGLGRIK1
SCHEMBL4085705 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4RECQLNFE2L2TRPA1
SCHEMBL3743993 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4RECQLPYGLGRIK1
SCHEMBL29373832 0.81 NFE2L2 (0.39) KCNA3PYGLGRIK1GRIK2NFE2L2
SCHEMBL2097219 0.81 KCNA3 (0.39) ALDH1A1KCNA3PYGLGRIK1GRIK2
SCHEMBL2097221 0.81 KCNA3 (0.39) ALDH1A1KCNA3PYGLGRIK1GRIK2
SCHEMBL16877158 0.81 ALDH1A1 (0.38) ALDH1A1KCNA3TRPA1MAPTMAPK1
SCHEMBL2092118 0.80 ALDH1A1 (0.38) ALDH1A1KCNA3PYGLGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP disclosed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP disclosed
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-05-10 US disclosed
EP-2820009-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9708290-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-07-18 US disclosed
US-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-05-05 US disclosed
US-9259470-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-16 US disclosed
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-09-04 US disclosed
US-8697715-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-04-15 US disclosed
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-09-26 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 (4 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-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 ALDH1A1 3280/4885CYP3A4 4336/4885RECQL 3218/4885
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 ALDH1A1 3280/4885CYP3A4 4336/4885RECQL 3218/4885
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 ALDH1A1 3280/4885CYP3A4 4336/4885RECQL 3218/4885
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 ALDH1A1 3280/4885CYP3A4 4336/4885RECQL 3218/4885

“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.