SCHEMBL4770670

SCHEMBL4770670

CSc1ncc2cc(Cc3ccccc3)oc2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
RXFP1 Q9HBX9 4/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 1/20 0.34
LMNA P02545 2/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL14004176 0.76 KLKB1 (0.35) MAPTPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL23877677 0.71 MAOB (0.47) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL14029963 0.69 PKM (0.38) MEN1KMT2A
SCHEMBL14004180 0.69 PKM (0.38) MEN1KMT2A
SCHEMBL11865948 0.69 L3MBTL1 (0.42) THRBMAPTPOLBALDH1A1MEN1
SCHEMBL4770644 0.69 CTSS (0.43) THRBMAPTPOLBALDH1A1MEN1
SCHEMBL27545443 0.68 THRB (0.52) THRBRXFP1MAPTPOLBALDH1A1
SCHEMBL14029210 0.67 LMNA (0.49) THRBMAPTHSP90AA1SMN1; SMN2HSD17B10
SCHEMBL13554051 0.66 POLB (0.43) THRBPOLBMEN1KMT2ALMNA
SCHEMBL19661702 0.65 MEN1 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 12 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
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
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 THRB 1407/4885RXFP1 773/4885MAPT 2581/4885
US-20030207900-A1 Bicyclic pyridine and pyrimidine p38 kinase inhibitors MAPK1, MAP3K1, MAPKAPK2 THRB 1573/4885RXFP1 677/4885MAPT 2536/4885
US-20060084803-A1 Bicyclic pyridine and pyrimidine P38 kinase inhibitors MAPK1, MAP3K1, MAP3K8 THRB 1407/4885RXFP1 773/4885MAPT 2581/4885

“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.