SCHEMBL11936724

SCHEMBL11936724

Cc1cc(C)c(Sc2nc(Nc3ccc(C#N)cc3)nc3c(Cl)cn(Cc4ccccc4)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ P2RX7 Q99572 5/20 0.34
▸ ABCG2 Q9UNQ0 5/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ TERT O14746 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ MERTK Q12866 1/20 0.33

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
SCHEMBL1716350 0.84 MERTK (0.37) PDE4BPDE4DCSNK2A1ABCG2ABCB1
SCHEMBL1716584 0.82 CSNK2A1 (0.37) PDE4BPDE4DCSNK2A1ABCG2ABCB1
SCHEMBL11936730 0.79 CYP2C9 (0.52) PDE4BPDE4DP2RX7ABCG2ABCB1
SCHEMBL1716378 0.75 CYP2C9 (0.36) PDE4BPDE4DABCG2ABCB1TTK
SCHEMBL12744404 0.73 CYP2C9 (0.39) PDE4BPDE4DABCG2ABCB1TTK
SCHEMBL1183312 0.71 CYP2C19 (0.48) ABCG2ABCB1JAK2TTKABCC1
SCHEMBL12715758 0.71 TTK (0.41) ABCG2ABCB1JAK2TTKTERT
SCHEMBL1716192 0.70 CYP2C9 (0.40) PDE4BPDE4DABCG2ABCB1TTK
SCHEMBL1716298 0.70 CYP2C9 (0.48) PDE4BPDE4DABCG2ABCB1JAK2
SCHEMBL1716297 0.69 CYP2C9 (0.52) PDE4BPDE4DABCG2ABCB1TTK

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 PDE4B 351/4885PDE4D 240/4885CSNK2A1 4649/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT PDE4B 243/4885PDE4D 270/4885CSNK2A1 4757/4885

“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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