SCHEMBL4015280

SCHEMBL4015280

CC(O)CNc1cc(F)nc(F)c1C(=O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
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
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 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
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 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
SCHEMBL4016377 1.00 LMNA (0.37) LMNASMN1; SMN2NPC1RAB9AADRB2
SCHEMBL4019207 0.82 NPC1 (0.37) LMNANPC1RAB9AADRB2ADRB1
SCHEMBL4019203 0.82 NPC1 (0.37) LMNANPC1RAB9AADRB2ADRB1
SCHEMBL4011982 0.82 MAPK13 (0.38) RAB9ATP53ALDH1A1MAPK13MAPK12
SCHEMBL4017922 0.82 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4011988 0.82 MAPK13 (0.38) RAB9ATP53ALDH1A1MAPK13MAPK12
SCHEMBL4013166 0.75 RECQL (0.42) LMNARECQLTP53ALDH1A1GAA
SCHEMBL4019337 0.70 MAPK13 (0.36) RAB9AALDH1A1MAPK13MAPK12MAPK11
SCHEMBL4019332 0.70 MAPK13 (0.36) RAB9AALDH1A1MAPK13MAPK12MAPK11
SCHEMBL8984846 0.64 ALDH1A1 (0.56) LMNARAB9AALDH1A1POLBMAPT

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 LMNA 2516/4885SMN1; SMN2 2168/4885NPC1 2555/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 LMNA 2067/4885SMN1; SMN2 852/4885NPC1 1509/4885

“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.