SCHEMBL2186233

SCHEMBL2186233

CC(C)(C)c1n[nH]cc1Br

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35

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
SCHEMBL1204756 0.73 CA1 (0.32)
SCHEMBL6850764 0.73
SCHEMBL2187960 0.73
SCHEMBL26849610 0.71
SCHEMBL21720030 0.71
SCHEMBL16867126 0.71
SCHEMBL7976610 0.71
SCHEMBL21719762 0.70 SMPD1 (0.30)
SCHEMBL21720045 0.70 LMNA (0.32) HPGD
SCHEMBL8596038 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334320-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN Pharmaceutica NV (BE) 2024-03-13 EP disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 WO disclosed
EP-3852737-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
US-20190048020-A1 DEUTERIUM-MODIFIED CFTR MODULATORS CONCERT PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
CN-1910147-A Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP disclosed
US-3957480-A HERBICIDES THE UPJOHN COMPANY (US) 1976-05-18 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-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 HPGD 2056/4885
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments HRH4, HRH3, HRH1 HPGD 627/4885
US-20190048020-A1 DEUTERIUM-MODIFIED CFTR MODULATORS CFTR, PKD2, PKD1 HPGD 251/4885
US-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 HPGD 1262/4885

“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.