SCHEMBL4775137

SCHEMBL4775137

Cn1c(Cc2ccccc2)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.41
CTSK P43235 4/20 0.41
CTSL P07711 4/20 0.39
LTB4R Q15722 2/20 0.36
PDGFRB P09619 2/20 0.36
FGFR1 P11362 1/20 0.34
ABL1 P00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4770644 0.76 CTSS (0.43) CTSSCTSKCTSLPDGFRBFGFR1
SCHEMBL14004183 0.74 CTSS (0.41) CTSSCTSKCTSLPDGFRBFGFR1
SCHEMBL1981355 0.72 PLK2 (0.52) FGFR1ALDH1A1
SCHEMBL4833267 0.70 CCND1 (0.53) CTSSCTSKFGFR1
SCHEMBL4776155 0.70 FGFR1 (0.53) CTSSCTSKFGFR1
SCHEMBL13553948 0.69 FGFR1 (0.36) PDGFRBFGFR1ABL1ALDH1A1
SCHEMBL520644 0.69 TSHR (0.31) LTB4R
SCHEMBL13859363 0.68 LCK (0.54) FGFR1ABL1
SCHEMBL2734374 0.68 CDK4 (0.49) FGFR1ALDH1A1
SCHEMBL22860654 0.68 HSD17B10 (0.43) CTSSCTSKCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449472-B2 Methods of inhibiting p38 with substituted bicyclic pyrimidines ROCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
US-7439247-B2 Bicyclic pyridine and pyrimidine P38 kinase inhibitors ROCHE PALO ALTOP LLC (US) 2008-10-21 US disclosed
EP-1485390-B1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
EP-1485390-B1 BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
CN-100386328-C Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-05-07 CN disclosed
US-7091347-B2 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-08-15 US disclosed
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors CHEN JIAN J 2006-04-20 US disclosed
US-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors CHEN JIAN J 2005-12-29 US disclosed
CN-1639168-A Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-11-06 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 (3 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-20050288312-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 CTSS 4393/4885CTSK 2659/4885CTSL 3940/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 CTSS 4461/4885CTSK 2785/4885CTSL 4193/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 CTSS 4393/4885CTSK 2659/4885CTSL 3940/4885

“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.