SCHEMBL4909930

SCHEMBL4909930

Cc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
DHODH Q02127 1/20 0.41
KIF11 P52732 1/20 0.40
SLC11A2 P49281 1/20 0.40
MMP3 P08254 1/20 0.39
PDE9A O76083 3/20 0.38
PDE1C Q14123 1/20 0.38
GAA P10253 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MAPT P10636 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
CYP11B2 P19099 1/20 0.37
RHEB Q15382 1/20 0.36

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
SCHEMBL2741353 0.85 AR (0.40) ARALDH1A1CYP2A6DHODHKIF11
SCHEMBL4920135 0.84 AR (0.41) ARALDH1A1CYP2A6DHODHKIF11
SCHEMBL5364215 0.83 CYP2A6 (0.45) ARALDH1A1CYP2A6KIF11SLC11A2
SCHEMBL4910488 0.82 AR (0.43) ARALDH1A1CYP2A6DHODHSLC11A2
SCHEMBL6469556 0.82 AR (0.40) ARALDH1A1CYP2A6DHODHKIF11
SCHEMBL4922378 0.82 AR (0.43) ARALDH1A1CYP2A6DHODHSLC11A2
SCHEMBL4910473 0.80 KMT2A (0.44) ARALDH1A1CYP2A6DHODHSLC11A2
SCHEMBL4911844 0.80 AR (0.40) ARALDH1A1CYP2A6DHODHKIF11
SCHEMBL4918458 0.80 PIN1 (0.47) ARALDH1A1FNTAFNTB
SCHEMBL4918690 0.79 MEN1 (0.43) ARALDH1A1CYP2A6DHODHSLC11A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-05-12 US disclosed
WO-2022098544-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-05-12 WO disclosed
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
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
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 (5 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 15/4885ALDH1A1 2491/4885CYP2A6 971/4885
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NCOA3, NCOA1, NR3C1 AR 15/4885ALDH1A1 2491/4885CYP2A6 971/4885
US-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE AR, ADRM1, CRBN AR 1/4885ALDH1A1 1867/4885CYP2A6 1550/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885ALDH1A1 2144/4885CYP2A6 915/4885
US-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885ALDH1A1 408/4885CYP2A6 104/4885

“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.