Sugi Predict

Sugi Predict / Compounds / SCHEMBL425957

SCHEMBL425957

SCHEMBL425957

Fc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.57
▸ CYP11B2 P19099 5/20 0.57
▸ CYP2A6 P11509 2/20 0.52
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ DRD2 P14416 4/20 0.42
▸ DRD4 P21917 4/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ EGFR P00533 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ PIP4K2B P78356 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14392676 0.82 CYP2A6 (0.61) CYP11B1CYP11B2CYP2A6PTK2PGR
SCHEMBL1119395 0.81 CYP11B2 (0.50) CYP11B1CYP11B2CYP2A6CHRNB4CHRNA3
SCHEMBL16758537 0.81 NPC1 (0.61) CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL1119412 0.80 CYP11B2 (0.68) CYP11B1CYP11B2CYP2A6PGR
SCHEMBL31403090 0.80 CYP11B2 (0.68) CYP11B1CYP11B2CYP2A6PGR
SCHEMBL3374955 0.79 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6PTK2PGR
SCHEMBL968892 0.79 CYP11B2 (0.54) CYP11B1CYP11B2CYP2A6CHRNB4CHRNA3
SCHEMBL3346102 0.79 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6PTK2PGR
SCHEMBL5116017 0.79 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6EGFRPTK2
SCHEMBL5110764 0.79 CYP2A6 (0.52) CYP11B1CYP11B2CYP2A6EGFRPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 — — US disclosed
EP-2280954-B1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIV SAARLAND (DE) 2013-03-27 — — EP disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 — — US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 — — US disclosed
EP-2280954-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 Universität des Saarlandes (DE) 2011-02-09 — — EP disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 — — CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO disclosed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 — — US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 — — EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 — — US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 — — 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 (6 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B1 6/4885CYP11B2 4/4885CYP2A6 53/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP2A6 261/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CYP11B1 3178/4885CYP11B2 2079/4885CYP2A6 723/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP11B1 1713/4885CYP11B2 1994/4885CYP2A6 1045/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CYP11B1 273/4885CYP11B2 403/4885CYP2A6 240/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CYP11B1 3178/4885CYP11B2 2079/4885CYP2A6 723/4885

“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.