SCHEMBL3483368

SCHEMBL3483368

CCn1ncc2c[c]ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
RECQL P46063 2/20 0.35
KMO O15229 3/20 0.35
CYP11B2 P19099 1/20 0.34
HASPIN Q8TF76 1/20 0.34
NOTUM Q6P988 1/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
DAO P14920 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
CACNA1H O95180 2/20 0.32
HTR2B P41595 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
GLS O94925 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3483616 0.88 CYP1A2 (0.45) CYP1A2RECQLKMOPOLBHSD17B10
SCHEMBL188240 0.86 CYP1A2 (0.39) CYP1A2RECQLKMOCYP11B2HASPIN
SCHEMBL17610869 0.85 CYP1A2 (0.43) CYP1A2RECQLKMOPOLBHSD17B10
SCHEMBL16617269 0.83 CYP1A2 (0.41) CYP1A2RECQLKMOPOLBHSD17B10
SCHEMBL16617402 0.82 CYP1A2 (0.42) CYP1A2RECQLKMOPOLBHSD17B10
SCHEMBL27243721 0.81 CYP1A2 (0.45) CYP1A2RECQLKMODAOHTR2A
SCHEMBL3482763 0.81 CYP1A2 (0.45) CYP1A2RECQLKMODAOHTR2A
SCHEMBL6750648 0.80 CYP1A2 (0.42) CYP1A2RECQLKMOHTR2AHTR2C
SCHEMBL3192376 0.80 CYP1A2 (0.42) CYP1A2RECQLKMODAOHTR2A
SCHEMBL3187768 0.80 MAOB (0.44) CYP1A2RECQLKMOHSD17B10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 EP claimed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US claimed
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-12-10 US claimed
EP-2912037-A1 2-AMINOPYRIDINE COMPOUNDS Merck Patent GmbH (DE) 2015-09-02 EP claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
WO-2014063778-A1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2014-05-01 WO claimed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO claimed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CYP1A2 507/4885RECQL 1119/4885KMO 1448/4885
US-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP1A2 612/4885RECQL 3885/4885KMO 425/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G CYP1A2 581/4885RECQL 906/4885KMO 1537/4885
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CYP1A2 439/4885RECQL 695/4885KMO 2451/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 CYP1A2 439/4885RECQL 695/4885KMO 2451/4885
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS SKP2, CDKN1A, MKI67 CYP1A2 710/4885RECQL 2074/4885KMO 351/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CYP1A2 486/4885RECQL 3770/4885KMO 342/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP1A2 507/4885RECQL 1119/4885KMO 1448/4885

“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.