SCHEMBL6082489

SCHEMBL6082489

O=[N+]([O-])c1c(-c2ccc(Cl)cc2Cl)ccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPBWR1 P48145 1/20 0.41
HSD11B1 P28845 1/20 0.41
S1PR4 O95977 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
APEX1 P27695 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6082104 0.79 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGTSHRMAPK1
SCHEMBL30445375 0.77 TDP1 (0.39) TSHRALDH1A1S1PR4MEN1KMT2A
SCHEMBL25679726 0.77 TDP1 (0.39) TSHRALDH1A1S1PR4MEN1KMT2A
SCHEMBL6082323 0.76 PIN1 (0.46) S1PR4MEN1KMT2ANPC1
SCHEMBL3367380 0.75 HSD11B1 (0.44) PIK3CAPIK3CBPIK3CGTSHRMAPK1
SCHEMBL7065294 0.75 CRHR1 (0.46) PIK3CAPIK3CBPIK3CGMAPK1HSD11B1
SCHEMBL6083735 0.75 PIK3CA (0.38) PIK3CAPIK3CBPIK3CGTSHRMAPK1
SCHEMBL29467174 0.75 ALDH1A1 (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL202927 0.75 ALDH1A1 (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6082337 0.74 CRHR1 (0.39) PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed
US-6642230-B2 Administering novel compounds which bind to corticotropin releasing factor receptors, thereby altering anxiogenic effects of CRF secretion BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 US disclosed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US disclosed
US-6143743-A TREATMENT OF NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-07 US disclosed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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 (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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 PIK3CA 2455/4885PIK3CB 2183/4885PIK3CG 2859/4885
US-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH PIK3CA 2342/4885PIK3CB 2815/4885PIK3CG 2992/4885

“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.