SCHEMBL5777798

SCHEMBL5777798

Cc1cc(-c2nc[nH]c2-c2ccc3nnc(-c4ccccc4)n3c2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
TGFBR1 P36897 2/20 0.48
IDO1 P14902 5/20 0.45
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NT5E P21589 1/20 0.39

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
SCHEMBL5771177 0.83 MAPK14 (0.60) MAPK14TGFBR1IDO1CYP3A4KDM4E
SCHEMBL5772428 0.81 MAPK14 (0.54) MAPK14TGFBR1IDO1CYP3A4KDM4E
SCHEMBL5772627 0.80 MAPK14 (0.74) MAPK14
SCHEMBL5775369 0.74 MAPK14 (0.72) MAPK14TGFBR1
SCHEMBL6183892 0.70 TGFBR1 (0.54) MAPK14TGFBR1IDO1CYP3A4
SCHEMBL6183193 0.70 TGFBR1 (0.51) MAPK14TGFBR1CYP3A4
SCHEMBL16331148 0.69 RET (0.66) MAPK14KDM4ENT5E
SCHEMBL5774046 0.68 MAPK14 (0.57) MAPK14TGFBR1KDM4EMAPT
SCHEMBL5776097 0.68 MAPK14 (0.73) MAPK14
SCHEMBL5773894 0.67 MAPK14 (0.62) MAPK14IDO1

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 1408/4885IDO1 175/4885

“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.