SCHEMBL7215729

SCHEMBL7215729

CNc1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
CYP3A4 P08684 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HCAR3 P49019 1/20 0.50
HTT P42858 2/20 0.48
CDC25B P30305 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KCNMA1 Q12791 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL13948943 0.85 HCAR3 (0.59) MAPTHCAR3HTTCDC25BKMT2A
SCHEMBL13948941 0.83 HCAR3 (0.50) MAPTHCAR3HTTCDC25BLMNA
SCHEMBL9947020 0.83 HCAR3 (0.47) MAPTCYP3A4BLMPMP22HCAR3
SCHEMBL13680344 0.82 HCAR3 (0.49) MAPTHCAR3HTTCDC25BLMNA
SCHEMBL10981845 0.80 HCAR3 (0.55) MAPTHCAR3HTTCDC25BLMNA
SCHEMBL5827232 0.78 MAPT (0.58) MAPTCYP3A4BLMPMP22LMNA
SCHEMBL7216360 0.77 MAPT (0.57) MAPTCYP3A4BLMPMP22HTT
SCHEMBL15264994 0.77 MAPT (0.60) MAPTCYP3A4BLMPMP22LMNA
SCHEMBL29995429 0.77 MAPT (0.60) MAPTCYP3A4BLMPMP22LMNA
SCHEMBL7370622 0.76 MAPT (0.56) MAPTCYP3A4LMNAALDH1A1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650286-A1 Quinazoline derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
US-8404698-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404698-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof REXAHN PHARMACEUTICALS, INC. (US) 2009-01-29 US disclosed
US-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof REXAHN PHARMACEUTICALS, INC. (US) 2009-01-29 US disclosed
US-7388014-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-7388014-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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 (1 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-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof ABL1, NQO2, NRAS MAPT 3928/4885CYP3A4 1087/4885BLM 124/4885

“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.