SCHEMBL5120763

SCHEMBL5120763

Nc1nc(SCc2ccccc2)ncc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.71
NPC1 O15118 6/20 0.71
ALDH1A1 P00352 6/20 0.71
RAB9A P51151 6/20 0.71
TSHR P16473 2/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
MAPT P10636 4/20 0.57
RECQL P46063 1/20 0.57
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.55
KDM6B O15054 1/20 0.52
KDM4A O75164 1/20 0.52
KDM4D Q6B0I6 1/20 0.52

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
SCHEMBL1991539 0.83 SMN1; SMN2 (1.00) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL5658074 0.81 ALDH1A1 (0.61) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL1158167 0.79 SMN1; SMN2 (0.52) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL1351680 0.78 ALDH1A1 (0.55) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL1352765 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL5658070 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL14587561 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL5658477 0.74 ALDH1A1 (0.57) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL811481 0.74 ALDH1A1 (0.78) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR
SCHEMBL27718774 0.74 SMN1; SMN2 (0.57) SMN1; SMN2NPC1ALDH1A1RAB9ATSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7285559-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-10-23 US disclosed
US-7285561-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-10-23 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-20060252783-A1 Imidazo-substituted compounds as p38 kinase inhibitors GOLDSTEIN DAVID M 2006-11-09 US disclosed
US-20060252784-A1 Imidazo-substituted compounds as P38 kinase inhibitors GOLDSTEIN DAVID M 2006-11-09 US disclosed
US-7081462-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-07-25 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
US-20030232847-A1 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-12-18 US disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
WO-2003082871-A1 IMIDAZO FUSED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-09 WO disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 WO disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (5 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-20060252784-A1 Imidazo-substituted compounds as P38 kinase inhibitors MAPK1, MAP3K1, MAPK3 SMN1; SMN2 2552/4885NPC1 1932/4885ALDH1A1 1207/4885
US-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 SMN1; SMN2 2069/4885NPC1 3852/4885ALDH1A1 1244/4885
US-20060252783-A1 Imidazo-substituted compounds as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 SMN1; SMN2 2552/4885NPC1 1932/4885ALDH1A1 1207/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 SMN1; SMN2 3890/4885NPC1 4050/4885ALDH1A1 1614/4885
US-20030232847-A1 Imidazo-substituted compounds as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 SMN1; SMN2 2200/4885NPC1 1885/4885ALDH1A1 1032/4885

“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.