SCHEMBL2017939

SCHEMBL2017939

Nc1cc(Br)cc(C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL30633552 1.00 GAA (0.35) GAAMAPTALDH1A1ALOX15MAPK1
SCHEMBL27083571 0.82 DAO (0.33)
SCHEMBL23528853 0.82 DAO (0.33)
SCHEMBL13401017 0.82 CYP3A4 (0.33) GAAMAPTALDH1A1
SCHEMBL27449232 0.76 GABRA1 (0.38) GAAMAPTALDH1A1ALOX15MAPK1
SCHEMBL21393521 0.73 CES2 (0.34)
SCHEMBL1194575 0.73 CHRNB4 (0.36)
SCHEMBL2016306 0.73
SCHEMBL219619 0.73
SCHEMBL11798292 0.71 ALDH1A1 (0.57) ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
EP-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-2513098-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-09 EP disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO 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 (7 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885MAPT 3486/4885ALDH1A1 1614/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 940/4885MAPT 501/4885ALDH1A1 3674/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885ALDH1A1 4333/4885
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA GAA 1413/4885MAPT 1416/4885ALDH1A1 2513/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885ALDH1A1 4184/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885ALDH1A1 4184/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885MAPT 3486/4885ALDH1A1 1614/4885

“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.