SCHEMBL4042278

SCHEMBL4042278

Nc1ccc(Cc2ccncc2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 11/20 0.59
CYP11B1 P15538 10/20 0.59
CYP11B2 P19099 10/20 0.59
CYP19A1 P11511 6/20 0.59
CYP3A4 P08684 9/20 0.52
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1300912 0.86 GAA (0.54) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11221372 0.82 CYP17A1 (0.76) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7532192 0.82 ALDH1A1 (0.58) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL691933 0.81 CALM1 (0.48) CYP3A4RAB9APOLBKDM4EMEN1
SCHEMBL7433856 0.80 CYP11B1 (0.45) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL4011774 0.78 CYP17A1 (0.59) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11229105 0.76 CYP3A4 (0.77) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL17737226 0.75 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL13873567 0.74 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL18770336 0.74 CYP17A1 (1.00) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed
EP-0834508-B1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-16 EP disclosed
US-5877190-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-02 US disclosed
CN-1202170-A Quinoline derivatives as type 1V phosphodiesterase inhibitors NOVARTIS AG (CH) 1998-12-16 CN disclosed
EP-0873338-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS Novartis AG (CH) 1998-10-28 EP disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0834508-A1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-08 EP disclosed
WO-1997018208-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS NOVARTIS AG (CH) 1997-05-22 WO disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 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 (1 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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C CYP17A1 1040/4885CYP11B1 796/4885CYP11B2 592/4885

“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.