SCHEMBL485969

SCHEMBL485969

N#Cc1ccc2[nH]c(CCl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
RHEB Q15382 1/20 0.42
MAPK10 P53779 4/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
PIN1 Q13526 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHUK O15111 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
SCARB1 Q8WTV0 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL7381841 0.87 GRIN1 (0.55) GRIN1GRIN2BRHEBPIN1PKN1
SCHEMBL9063730 0.87 GRIN1 (0.51) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL3391736 0.84 GRIN1 (0.43) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL7653718 0.84 TDP1 (0.47) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL4889180 0.84 CACNA1H (0.46) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL7765425 0.84 DDAH1 (0.53) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL7655130 0.81 RAD52 (0.50) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL11327259 0.80 GRIN1 (0.41) GRIN1GRIN2BRHEBMAPK10IMPDH2
SCHEMBL5795358 0.79 GRIN1 (0.64) GRIN1GRIN2BMAPK10CYP19A1KDM4E
SCHEMBL21072127 0.79 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP 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 (2 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 GRIN1 1705/4885GRIN2B 1222/4885RHEB 1673/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 GRIN1 1705/4885GRIN2B 1222/4885RHEB 1673/4885

“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.