SCHEMBL5776596

SCHEMBL5776596

CC(=O)Nc1nc(-c2cccc(C)c2)c(-c2ccc3nnc(-c4ccccc4)n3c2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.47
TGFBR1 P36897 6/20 0.47
DRD2 P14416 1/20 0.43
HTR6 P50406 1/20 0.43
CSNK1D P48730 3/20 0.41
CSNK1E P49674 3/20 0.41
NT5E P21589 6/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL5776532 0.88 MAPK14 (0.54) MAPK14TGFBR1CSNK1DCSNK1E
SCHEMBL5776308 0.87 TGFBR1 (0.58) MAPK14TGFBR1DRD2HTR6CSNK1D
SCHEMBL6184279 0.77 MAPK14 (0.44) MAPK14TGFBR1DRD2HTR6CSNK1D
SCHEMBL16332101 0.75 NPC1 (0.55) KDM4ENPC1ALDH1A1POLBHPGD
SCHEMBL5775207 0.72 TGFBR1 (0.58) MAPK14TGFBR1KDM4EALDH1A1HPGD
SCHEMBL5772428 0.71 MAPK14 (0.54) MAPK14TGFBR1NT5EKDM4E
SCHEMBL32664894 0.71 NT5E (0.49) MAPK14CSNK1DCSNK1ENT5EKDM4E
SCHEMBL5836546 0.70 MAPK14 (0.49) MAPK14DRD2HTR6
SCHEMBL6183189 0.70 MAPK14 (0.40) MAPK14DRD2HTR6CSNK1DCSNK1E
SCHEMBL5772734 0.70 MAPK14 (0.72) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370559-B1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6696464-B2 POTENT INHIBITORS OF MAP KINASES, PREFERABLY P38 KINASE; USEFUL IN TREATMENT OF INFLAMMATION, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CANCER, REPERFUSION OR ISCHEMIA IN STROKE OR HEART ATTACK PFIZER INC 2004-02-24 US disclosed
EP-1370559-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
US-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds PFIZER INC. 2003-05-22 US disclosed
WO-2002072579-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PRODUCTS INC. (US) 2002-09-19 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-20030096838-A1 Novel triazolo-pyridines anti-inflammatory compounds MAPK1, CNKSR1, JAK1 MAPK14 15/4885TGFBR1 1408/4885DRD2 4285/4885

“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.