SCHEMBL4019207

SCHEMBL4019207

CC(O)CNc1nc(F)cc(F)c1C(=O)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK14 Q16539 3/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4019203 1.00 NPC1 (0.37) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL4016377 0.82 LMNA (0.37) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL4015280 0.82 LMNA (0.37) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL4019337 0.82 MAPK13 (0.36) RAB9AALDH1A1NPSR1P2RX7MAPK13
SCHEMBL4019332 0.82 MAPK13 (0.36) RAB9AALDH1A1NPSR1P2RX7MAPK13
SCHEMBL4017922 0.76 MAPK13 (0.38) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4013166 0.75 RECQL (0.42) RECQLALDH1A1TP53LMNAGAA
SCHEMBL4011982 0.72 MAPK13 (0.38) RAB9AALDH1A1MAPTTP53MAPK13
SCHEMBL4011988 0.72 MAPK13 (0.38) RAB9AALDH1A1MAPTTP53MAPK13
SCHEMBL2189708 0.61 ALDH1A1 (0.57) NPC1RECQLALDH1A1MAPTNPSR1

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 8 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-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
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 NPC1 2555/4885RAB9A 741/4885ADRB2 1052/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 NPC1 1509/4885RAB9A 2741/4885ADRB2 2887/4885

“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.