SCHEMBL1716384

SCHEMBL1716384

Cc1cc([N+](=O)[O-])cc(C)c1Oc1nc(Cl)nc2ccn(Cc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ PIN1 Q13526 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CRHBP P24387 1/20 0.35

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
SCHEMBL4795625 0.84 TLR7 (0.36) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL10251541 0.82 MAOB (0.36) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL1716251 0.81 CYP2C9 (0.44) P2RX7KMT2AMEN1CYP1A2CYP2C9
SCHEMBL1715834 0.75 TLR7 (0.38) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL1716899 0.75 TLR7 (0.50) TLR7
SCHEMBL17060403 0.75 NPC1 (0.45) P2RX7KMT2AMEN1CYP1A2CYP2C9
SCHEMBL11936684 0.71 TLR7 (0.35) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL11936686 0.71 TLR7 (0.46) TLR7
SCHEMBL1716243 0.71 TLR7 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1716410 0.71 TLR7 (0.35) P2RX7CYP1A2CYP2C9CYP2C19POLB

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 21 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
CN-101233135-B Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus ARDEA BIOSCIENCES INC 2012-10-03 — — CN 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
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
EP-1877411-A4 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2008-10-22 — — EP disclosed
CN-101233135-A Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus ARDEA BIOSCIENCES INC (US) 2008-07-30 — — CN disclosed
EP-1877411-A2 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV Ardea Biosciences, Inc. (US) 2008-01-16 — — EP disclosed
WO-2006122003-A2 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2006-11-16 — — WO 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 P2RX7 470/4885KMT2A 773/4885MEN1 4881/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT P2RX7 167/4885KMT2A 743/4885MEN1 4789/4885

“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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