SCHEMBL1874244

SCHEMBL1874244

CSc1nccc(C(C#N)c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
ALPG P10696 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 4/20 0.36
CSNK1D P48730 2/20 0.36
JAK3 P52333 1/20 0.36
TACR3 P29371 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 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
SCHEMBL1554049 0.75 ALDH1A1 (0.42) MAPK9MAPK10LMNASMN1; SMN2ALDH1A1
SCHEMBL5655555 0.74 L3MBTL1 (0.51) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL5655425 0.72 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL28239177 0.70 GAA (0.43) MAPK9MAPK10LMNASMN1; SMN2ALDH1A1
SCHEMBL10370952 0.70 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL2958337 0.70 MAPK9 (0.47) MAPK9MAPK10LMNASMN1; SMN2ALDH1A1
SCHEMBL2883560 0.69 MAPK10 (1.00) MAPK9MAPK10LMNASMN1; SMN2ALDH1A1
SCHEMBL1508006 0.69 ALDH1A1 (0.70) LMNASMN1; SMN2ALDH1A1GAAALPG
SCHEMBL4041839 0.69 SCN9A (0.37) MAPK10LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL10094582 0.68 MAPK9 (0.43) MAPK9MAPK10LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832584-B1 PYRIMIDINYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-12-21 EP disclosed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP 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-20080114003-A1 Pyrimidinylisoxazole Derivatives MAPK3, MAPK7, MAP3K7 MAPK9 20/4885MAPK10 51/4885LMNA 4318/4885

“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.