SCHEMBL1978472

SCHEMBL1978472

OC(CCn1ccnc1)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.68
CYP19A1 P11511 5/20 0.53
MAPK1 P28482 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NOS1 P29475 1/20 0.50

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
SCHEMBL11637289 0.93 HMOX1 (0.66) HMOX1CYP19A1MAPK1CYP11B1CYP11B2
SCHEMBL11386918 0.92 HMOX1 (0.59) HMOX1CYP19A1MAPK1CYP11B1CYP11B2
SCHEMBL11756428 0.85 CYP19A1 (0.53) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11633201 0.85 CYP19A1 (0.73) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11630824 0.85 CYP19A1 (0.53) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL6981959 0.84 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2
SCHEMBL10197408 0.84 HMOX1 (0.91) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL10816487 0.84 HMOX1 (0.91) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11632476 0.81 KMT2A (0.54) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL6978491 0.81 TBXAS1 (0.57) HMOX1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 EP disclosed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 EP disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 WO disclosed
US-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP disclosed
US-4045568-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-30 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 (4 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 HMOX1 2995/4885CYP19A1 1823/4885MAPK1 914/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HMOX1 2710/4885CYP19A1 781/4885MAPK1 180/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 HMOX1 1488/4885CYP19A1 376/4885MAPK1 487/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 HMOX1 2710/4885CYP19A1 781/4885MAPK1 180/4885

“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.