SCHEMBL1716656

SCHEMBL1716656

Cc1cc(Br)cc(C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PREP P48147 1/20 0.32
NQO2 P16083 1/20 0.32
PPARA Q07869 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.30
APLNR P35414 2/20 0.30

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
SCHEMBL20607098 0.87 POLB (0.42) KDM4EALDH1A1POLB
SCHEMBL19322017 0.85 MAPT (0.37) CA12CA1CA9ALOX5APFEN1
SCHEMBL19317225 0.83 POLB (0.40) CA12CA1CA9ALOX5APFEN1
SCHEMBL18359522 0.82 ALOX5AP (0.37) CA12CA1CA9ALOX5APFEN1
SCHEMBL7778455 0.80 NQO2 (0.34) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28684211 0.79 DRD2 (0.35) CA12CA1CA9ALOX5APFEN1
SCHEMBL5981001 0.78 MAPT (0.42) CA12CA1CA9ALOX5APFEN1
SCHEMBL6314664 0.78 POLB (0.33) CA12CA1CA9ALOX5APFEN1
SCHEMBL347732 0.77 CYP1A2 (0.36) CA12CA1CA9MEN1KMT2A
SCHEMBL19306468 0.77 SRC (0.46) CA12CA1CA9ALDH1A1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354532-B2 Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2013-01-15 US disclosed
US-8354532-B2 Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2013-01-15 US disclosed
US-8354532-B2 Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2013-01-15 US disclosed
US-20120226037-A1 PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US disclosed
US-20120226037-A1 PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US disclosed
EP-1877411-B9 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-08-29 EP disclosed
US-8227601-B2 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2012-07-24 US disclosed
US-8227601-B2 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2012-07-24 US disclosed
EP-1877411-B1 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-01-18 EP disclosed
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv INTRABIOTICS PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993014762-A1 17β-HYDROXYBENZOYL-4-AZA-5α-ANDROST-1-EN-3-ONES USEFUL TO TREAT BALDNESS MERCK & CO., INC. (US) 1993-08-05 WO disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-5098908-A 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 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 (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-20120226037-A1 PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV TYMP, TPMT, PNP CA12 4804/4885CA1 4842/4885CA9 4297/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT CA12 4755/4885CA1 4790/4885CA9 3954/4885

“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.