SCHEMBL4012736

SCHEMBL4012736

Fc1ccc(Oc2nc3[nH]nc(-c4ccccc4Cl)c3cc2CN2CCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
MAPK14 Q16539 6/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
TRPA1 O75762 2/20 0.35
SMYD2 Q9NRG4 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4021743 0.93 BRD4 (0.40) BRD4MAPK14KDM4EALDH1A1EGFR
SCHEMBL4019146 0.86 TRPA1 (0.41) MAPK14SMN1; SMN2TRPA1
SCHEMBL4020089 0.85 SLC6A2 (0.45) MAPK14TRPA1
SCHEMBL5097216 0.81 MAPK14 (0.42) MAPK14TRPA1
SCHEMBL4014032 0.81 TRPA1 (0.45) MAPK14EGFRTRPA1MAPK1
SCHEMBL4020081 0.81 TRPA1 (0.42) MAPK14TRPA1
SCHEMBL4015352 0.81 TRPA1 (0.41) MAPK14MEN1KMT2ATRPA1
SCHEMBL13764807 0.80 MAPK14 (0.39) MAPK14SMN1; SMN2TRPA1
SCHEMBL4015180 0.80 MAPK14 (0.39) MAPK14SMN1; SMN2TRPA1
SCHEMBL4015460 0.78 MAPK14 (0.39) MAPK14ALDH1A1TRPA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP claimed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US claimed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO claimed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 BRD4 1593/4885MAPK14 33/4885KDM4E 4518/4885

“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.