SCHEMBL3381806

SCHEMBL3381806

CN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR6 P50406 8/20 0.55

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
SCHEMBL5236395 0.86 HPGD (0.62) MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3316460 0.84 LMNA (0.61) SIRT6MAPTALDH1A1MAPK1
SCHEMBL6687266 0.83 MAPT (0.64) MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27997682 0.82 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30532598 0.82 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL170932 0.80 HPGD (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7988037 0.79 MAPT (0.62) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30868315 0.79 KMT2A (0.58) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14046551 0.79 HTR6 (0.57) MAPTALDH1A1MAPK1HTR6
SCHEMBL9343184 0.79 LMNA (0.63) SIRT6MAPTALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614220-B2 Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-24 US disclosed
CN-101563351-B Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2013-06-05 CN disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
EP-1497287-B1 Quinoline derivatives in combination with 5-FU or CPT-11 for use in the treatment of cancer NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-11-24 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 US disclosed
US-20040006101-A1 Quinolinone derivatives CHIRON CORPORATION 2004-01-08 US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
WO-2003087095-A1 QUINOLINONE DERIVATIVES CHIRON CORPORATION (US) 2003-10-23 WO disclosed
US-20030158224-A1 Quinolinone derivatives CHIRON CORPORATION 2003-08-21 US disclosed
US-6605617-B2 Treating a patient in need of an inhibitor of vascular endothelial growth factor receptor tyrosine kinase CHIRON CORPORATION 2003-08-12 US disclosed
EP-1317442-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-20030028018-A1 Quinolinone derivatives CHIRON COPORATION 2003-02-06 US disclosed
US-20020107392-A1 Quinolinone derivatives NOVARTIS AG (CH) 2002-08-08 US disclosed
WO-2002022598-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2002-03-21 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 (7 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-20030028018-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 SIRT6 2160/4885MAPT 2067/4885ALDH1A1 232/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD SIRT6 842/4885MAPT 4168/4885ALDH1A1 271/4885
US-20030158224-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 SIRT6 2160/4885MAPT 2067/4885ALDH1A1 232/4885
US-20020107392-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 SIRT6 2160/4885MAPT 2067/4885ALDH1A1 232/4885
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 SIRT6 1502/4885MAPT 2462/4885ALDH1A1 3110/4885
US-20040006101-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 SIRT6 2160/4885MAPT 2067/4885ALDH1A1 232/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 SIRT6 2440/4885MAPT 4348/4885ALDH1A1 450/4885

“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.