SCHEMBL4013166

SCHEMBL4013166

O=C(c1ccccc1Cl)c1c(F)cc(F)nc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
CDK2 P24941 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
IGFBP3 P17936 1/20 0.39
POLB P06746 1/20 0.39
RORB Q92753 2/20 0.38
RORC P51449 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4016377 0.75 LMNA (0.37) RECQLALDH1A1LMNAGAATP53
SCHEMBL4015280 0.75 LMNA (0.37) RECQLALDH1A1LMNAGAATP53
SCHEMBL4019203 0.75 NPC1 (0.37) RECQLALDH1A1LMNAGAATP53
SCHEMBL4019207 0.75 NPC1 (0.37) RECQLALDH1A1LMNAGAATP53
SCHEMBL2189708 0.71 ALDH1A1 (0.57) RECQLCES2CES1ALDH1A1GAA
SCHEMBL29399311 0.70 CES2 (0.71) RECQLCES2CES1ALDH1A1LMNA
SCHEMBL50416 0.70 CES2 (0.71) RECQLCES2CES1ALDH1A1LMNA
SCHEMBL8956220 0.69 RECQL (0.51) RECQLCES2CES1ALDH1A1LMNA
SCHEMBL611462 0.68 MEN1 (0.54) CES2CES1ALDH1A1LMNAGAA
SCHEMBL3444846 0.68 CES2 (0.68) RECQLCES2CES1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 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
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 RECQL 803/4885CES2 4429/4885CES1 3049/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 RECQL 3803/4885CES2 3229/4885CES1 2303/4885

“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.