SCHEMBL4920032

SCHEMBL4920032

Cc1[nH]c(C)c(-c2ccc(C#N)c(C(F)(F)F)c2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.58
PGR P06401 4/20 0.51
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL14154922 0.85 ALDH1A1 (0.43) ARPGRALDH1A1GLAGAA
SCHEMBL21996399 0.81 CYP11B1 (0.48)
SCHEMBL6466194 0.78 AR (0.59) ARPGRRXRARXRBRXRG
SCHEMBL3075671 0.77 AR (0.57) ARPGRRXRARXRBRXRG
SCHEMBL5364904 0.76 AR (0.62) ARPGRRXRARXRBRXRG
SCHEMBL24872471 0.74 AR (0.57) ARPGRRXRARXRBRXRG
SCHEMBL21416825 0.73 AR (0.73) ARPGRRXRARXRBRXRG
SCHEMBL4909930 0.71 AR (0.44) ARALDH1A1GAA
SCHEMBL29323655 0.70 AR (0.52) ARPGRRXRARXRBRXRG
SCHEMBL409108 0.70 AR (0.74) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886854-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
WO-2020113094-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 WO disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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 (3 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-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NCOA3, NCOA1, NR3C1 AR 15/4885PGR 17/4885RXRA 48/4885
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NCOA3, NCOA1, NR3C1 AR 15/4885PGR 17/4885RXRA 48/4885
US-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885PGR 64/4885RXRA 175/4885

“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.