SCHEMBL177850

SCHEMBL177850

Nc1cccc(Cc2ccncc2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.69
CYP11B2 P19099 7/20 0.69
CYP17A1 P05093 6/20 0.69
CYP19A1 P11511 5/20 0.69
CYP3A4 P08684 5/20 0.69
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
RAB9A P51151 1/20 0.46
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9719373 0.85 CA1 (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL29569802 0.85 CA1 (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL30324526 0.85 CA1 (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL3482569 0.85 CA1 (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL49433 0.85 MAOB (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL30583096 0.85 MAOB (0.62) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL5893847 0.84 MAOA (0.70) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL399652 0.83 MAOB (0.68) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL9719335 0.83 MAOB (0.60) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
Hydrochloric Acid SCHEMBL10936113 0.83 MAOB (0.64) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 CYP11B1 706/4885CYP11B2 694/4885CYP17A1 4005/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 CYP11B1 1506/4885CYP11B2 1708/4885CYP17A1 2663/4885

“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.