SCHEMBL21996361

SCHEMBL21996361

N#Cc1ccc(-c2cc[nH]n2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.54
PGR P06401 4/20 0.54
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
EGLN2 Q96KS0 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
SCHEMBL21996431 0.80 CYP11B2 (0.52)
SCHEMBL1810795 0.77 CYP11B2 (0.48) AREGLN2
SCHEMBL15012113 0.77 NOTUM (0.61)
SCHEMBL6696076 0.77 PGR (0.42) PGR
SCHEMBL1816526 0.77 S1PR1 (0.41) AREGLN2
SCHEMBL3909066 0.77 AR (0.36) ARPGR
SCHEMBL16879257 0.77 AR (0.57) ARPGRRXRARXRBRXRG
Hydrochloric Acid SCHEMBL16330842 0.76 CYP11B2 (0.47) AREGLN2
SCHEMBL25830809 0.75 KIF11 (0.43) ARPGR
Hydrochloric Acid SCHEMBL25301898 0.74 KIF11 (0.42) 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 4 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-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

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-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

“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.