SCHEMBL849744

SCHEMBL849744

Cc1cc(NN)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL3464344 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9059236 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL11492524 0.82 NPC1 (0.42) ALDH1A1RAB9ANPC1MAPTKMT2A
Hydrochloric Acid SCHEMBL28652475 0.80 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL24436849 0.79 TDP1 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5840849 0.79 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL29418001 0.78 POLB (0.48) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL18346160 0.78 CA12 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL824198 0.78 POLB (0.48) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL28901909 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
WO-2021078023-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
EP-3623372-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS Forma Therapeutics, Inc. (US) 2020-03-18 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3240791-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
US-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2018-11-29 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-7652035-B2 CRF receptor antagonists and methods relating thereto Neurocrine Bioscience, Inc. (US) 2010-01-26 US disclosed
US-7652035-B2 CRF receptor antagonists and methods relating thereto Neurocrine Bioscience, Inc. (US) 2010-01-26 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (7 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-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 CYP1A2 2080/4885CYP3A4 1757/4885CYP2C9 2518/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH CYP1A2 977/4885CYP3A4 1101/4885CYP2C9 634/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CYP1A2 842/4885CYP3A4 803/4885CYP2C9 553/4885
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR CYP1A2 868/4885CYP3A4 704/4885CYP2C9 636/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 CYP1A2 47/4885CYP3A4 294/4885CYP2C9 652/4885
US-20180339988-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 CYP1A2 2080/4885CYP3A4 1757/4885CYP2C9 2518/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 CYP1A2 47/4885CYP3A4 270/4885CYP2C9 570/4885

“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.