SCHEMBL11936713

SCHEMBL11936713

COc1ccc(Nc2nc(Oc3c(C)cc(C)cc3C)c3nc[nH]c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ POLA1 P09884 1/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL11936712 0.88 CYP2C9 (0.39) CDK2CDK1MAPTPOLA1ABCC3
SCHEMBL11936696 0.85 KMT2A (0.50) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL11936715 0.85 CDK1 (0.39) CDK2CDK1CCNB1ABCC3ESR1
SCHEMBL11936687 0.85 CYP2C9 (0.56) MEN1KMT2AABCC3ESR1CYP1A2
SCHEMBL11936697 0.84 NPC1 (0.46) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL11936719 0.84 KCNH2 (0.38) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL11936698 0.83 CDK2 (0.44) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL11936694 0.83 CDK2 (0.51) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL12092566 0.82 CYP2C9 (0.48) MEN1KMT2AGAAPOLA1ABCC3
SCHEMBL13561246 0.80 CYP2C9 (0.41) MEN1KMT2AMAPTGAAABCC3

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 8 patents. 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-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
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
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-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

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 CDK2 485/4885CCNA2 1163/4885CCNA1 1977/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT CDK2 837/4885CCNA2 1377/4885CCNA1 1576/4885

“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.

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