SCHEMBL1715486

SCHEMBL1715486

Cc1cc(C)c(Oc2nc(Cl)nc3ccn(C)c23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
HSP90AA1 P07900 1/20 0.32
KDR P35968 3/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1715576 0.86 CRHR1 (0.39) CRHR1KDR
SCHEMBL3862591 0.72 TUBB4A (0.42) CRHR1
SCHEMBL1715571 0.72 CYP2C9 (0.56) KDR
SCHEMBL1716246 0.70 PRMT5 (0.33) KDR
SCHEMBL4795625 0.69 TLR7 (0.36) KMT2A
SCHEMBL30774335 0.68 TUBB4A (0.41) KDR
SCHEMBL31586234 0.67 KDM4E (0.41)
SCHEMBL15525115 0.67 KDM4E (0.41)
SCHEMBL1715834 0.67 TLR7 (0.38) CRHR1KMT2A
SCHEMBL49211 0.67 HSP90AA1 (0.53) CRHR1HSP90AA1KMT2A

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 16 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-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-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
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
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
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-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 CRHR1 2559/4885HSP90AA1 3836/4885KDR 3186/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT CRHR1 3690/4885HSP90AA1 4452/4885KDR 4364/4885

“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.