SCHEMBL2219585

SCHEMBL2219585

CN(c1ccc(Cl)cc1)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.83
NR4A2 P43354 3/20 0.50
SOS2 Q07890 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FERMT2 Q96AC1 1/20 0.46
CYP1A2 P05177 1/20 0.45
EGFR P00533 2/20 0.44
CSF1R P07333 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CCR1 P32246 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL10062533 0.93 CHKA (0.77) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL13450995 0.91 CHKA (0.75) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL7498608 0.91 CHKA (0.75) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL11136934 0.91 CHKA (1.00) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL610392 0.84 CHKA (0.69) CHKALMNAMAPTCYP1A2EGFR
SCHEMBL30522270 0.84 CHKA (0.69) CHKALMNAMAPTCYP1A2EGFR
SCHEMBL30058586 0.83 CHKA (0.68) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL1706258 0.83 CHKA (0.68) CHKANR4A2SOS2LMNASMN1; SMN2
SCHEMBL21346926 0.80 CHKA (0.70) CHKANR4A2SOS2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10573768 0.79 CHKA (0.62) CHKANR4A2SOS2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781458-B2 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US claimed
EP-1710236-B1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACION (ES) 2010-03-24 EP claimed
EP-2085386-A2 Pyridinium and quinolinium derivatives as Choline kinase inhibitors Consejo Superior De Investigaciones Científicas (ES) 2009-08-05 EP claimed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US claimed
EP-1710236-A1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2006-10-11 EP claimed
WO-2015185780-A1 SYMMETRICAL POLAR INHIBITORS OF CHOLINE KINASE WITH ANTI-TUMOUR ACTIVITY UNIVERSIDAD DE GRANADA (ES) 2015-12-10 WO disclosed
US-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA S L (ES) 2015-10-22 US disclosed
US-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA S L (ES) 2015-10-22 US disclosed
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L (ES) 2015-01-01 US disclosed
US-8586613-B2 Pyridinium and quinolinium derivatives UNIVERSIDAD DE GRANADA (ES) 2013-11-19 US disclosed
US-20120040021-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2012-02-16 US disclosed
EP-1710236-B1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACION (ES) 2010-03-24 EP disclosed
EP-1710236-B1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACION (ES) 2010-03-24 EP disclosed
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2010-03-18 US disclosed
EP-2085386-A2 Pyridinium and quinolinium derivatives as Choline kinase inhibitors Consejo Superior De Investigaciones Científicas (ES) 2009-08-05 EP disclosed
EP-2085386-A2 Pyridinium and quinolinium derivatives as Choline kinase inhibitors Consejo Superior De Investigaciones Científicas (ES) 2009-08-05 EP disclosed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US disclosed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US disclosed
EP-1710236-A1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2006-10-11 EP 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-20150297576-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CHKA 4/4885NR4A2 4295/4885SOS2 3712/4885
US-20070185170-A1 Derivatives of pyridine and quinoline CHKA, CHKB, PHOSPHO1 CHKA 1/4885NR4A2 4407/4885SOS2 4063/4885
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 CHKA 1/4885NR4A2 3879/4885SOS2 3110/4885
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CHKA 4/4885NR4A2 4295/4885SOS2 3712/4885
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER CHKA, CHKB, DCK CHKA 1/4885NR4A2 4566/4885SOS2 4252/4885
US-20120040021-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CHKA 4/4885NR4A2 4295/4885SOS2 3712/4885

“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.