SCHEMBL209669

SCHEMBL209669

Nc1ncc(Cl)c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
AURKA O14965 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FLT3 P36888 1/20 0.41
AURKB Q96GD4 1/20 0.41
RPS6KB1 P23443 2/20 0.41

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
SCHEMBL208548 0.90 POLB (0.53) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL207969 0.89 AURKA (0.46) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL210676 0.88 AURKA (0.42) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4754624 0.87 PPARD (0.43) ALDH1A1MAPTPOLBL3MBTL1NPBWR1
SCHEMBL209541 0.86 DRD2 (0.50) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL209615 0.83 MAPT (0.45) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4757112 0.83 DRD2 (0.38) ALDH1A1MAPTPOLBL3MBTL1NPBWR1
SCHEMBL209883 0.81 SIGMAR1 (0.46) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL207138 0.81 NPC1 (0.45) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL17092831 0.81 AURKA (0.45) MEN1KMT2AALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515954-A Salts and polymorphic forms of 6-chloro-7- (4- (4-chlorobenzyl) piperazin-1-yl) -2- (1,3-dimethyl-1H-pyrazol-4-yl) -3H-imidazo [4,5-B ] pyridine 椭圆制药有限公司 2022-12-23 CN disclosed
EP-2864328-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS CANCER RES TECH LTD (GB) 2017-12-06 EP disclosed
EP-2864328-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS CANCER RES TECH LTD (GB) 2017-12-06 EP disclosed
US-9447092-B2 Pharmaceutically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-09-20 US disclosed
US-9447092-B2 Pharmaceutically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-09-20 US disclosed
US-9447092-B2 Pharmaceutically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-09-20 US disclosed
US-20150266868-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-09-24 US disclosed
US-20150266868-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-09-24 US disclosed
US-20150266868-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-09-24 US disclosed
EP-2864328-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS Cancer Research Technology Ltd (GB) 2015-04-29 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA MEN1 471/4885KMT2A 384/4885ALDH1A1 3015/4885
US-20150266868-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS FLT3, AURKC, AURKA MEN1 391/4885KMT2A 860/4885ALDH1A1 1999/4885

“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.