SCHEMBL3514735

SCHEMBL3514735

N#Cc1cc(-c2ccccc2)cnc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
TDP1 Q9NUW8 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
KDM4E B2RXH2 6/20 0.58
CYP1A2 P05177 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
HPGD P15428 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP3A4 P08684 2/20 0.58
GAA P10253 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
MCL1 Q07820 2/20 0.44
GRIN2B Q13224 1/20 0.43

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
SCHEMBL2321872 0.86 ALDH1A1 (0.75) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL7272197 0.84 ALDH1A1 (0.73) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL7282308 0.83 ALDH1A1 (0.71) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL15850420 0.82 ALDH1A1 (0.69) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL9695367 0.80 ALDH1A1 (0.67) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL7215664 0.80 ALDH1A1 (0.67) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL12382082 0.79 ALDH1A1 (0.64) ALDH1A1TDP1NPSR1KDM4EGAA
SCHEMBL23791803 0.79 ALDH1A1 (0.65) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL29904582 0.79 ALDH1A1 (0.65) ALDH1A1TDP1NPSR1KDM4ECYP1A2
SCHEMBL27241739 0.79 ALDH1A1 (0.65) ALDH1A1TDP1NPSR1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 US disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US disclosed
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2003045949-A1 PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO disclosed
US-5710157-A INSECTICIDES FOR AGRICULTURE FMC CORPORATION (US) 1998-01-20 US disclosed
US-5593998-A 2,4-diamino-5,6-disubstituted-and 5,6,7-trisubstituted-5-deazapteridines as insecticides FMC CORPORATION (US) 1997-01-14 US disclosed
US-5547954-A MIXED WITH AGRICULTURAL ACCEPTABLE CARRIER FMC CORPORATION (US) 1996-08-20 US disclosed
US-5532370-A FOR INSECTS INCLUDING LARVAE SUCH AS TOBACCO BUDWORM FMC CORPORATION (US) 1996-07-02 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 (6 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 ALDH1A1 122/4885TDP1 2966/4885NPSR1 3771/4885
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885TDP1 2457/4885NPSR1 2478/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885TDP1 2457/4885NPSR1 2478/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885TDP1 2457/4885NPSR1 2478/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885TDP1 2457/4885NPSR1 2478/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP ALDH1A1 708/4885TDP1 3024/4885NPSR1 1254/4885

“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.