SCHEMBL188240

SCHEMBL188240

CCn1ncc2cc[c]cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
NOTUM Q6P988 1/20 0.36
RECQL P46063 1/20 0.35
CYP11B2 P19099 1/20 0.34
HASPIN Q8TF76 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 4/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR4 Q13639 1/20 0.33
PTGER3 P43115 1/20 0.32
KMO O15229 3/20 0.32

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
SCHEMBL3483368 0.86 CYP1A2 (0.42) CYP1A2NOTUMRECQLCYP11B2HASPIN
SCHEMBL16617171 0.82 CYP1A2 (0.39) CYP1A2RECQLPOLBTSHRHSD17B10
SCHEMBL16617189 0.81 CYP1A2 (0.36) CYP1A2RECQLPOLBTSHRHSD17B10
SCHEMBL19127653 0.79 CYP1A2 (0.41) CYP1A2RECQLHSD17B10HTR2AHTR2C
SCHEMBL25434947 0.78 CYP1A2 (0.36) CYP1A2RECQLHTR2AHTR2C
SCHEMBL13730929 0.78 CYP1A2 (0.36) CYP1A2RECQL
SCHEMBL5733688 0.77 RECQL (0.66) CYP1A2RECQLTSHRHSD17B10KMO
SCHEMBL282391 0.76 CYP1A2 (0.35) CYP1A2NOTUMCYP11B2PDE1C
SCHEMBL694562 0.74 RECQL (0.46) CYP1A2RECQLTSHRHTR2AHTR2C
SCHEMBL3483616 0.74 CYP1A2 (0.45) CYP1A2RECQLPOLBTSHRHSD17B10

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
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-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
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
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-12-10 US claimed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO claimed
EP-2912037-A1 2-AMINOPYRIDINE COMPOUNDS Merck Patent GmbH (DE) 2015-09-02 EP claimed
WO-2014063778-A1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2014-05-01 WO 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 disclosed
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 disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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 (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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CYP1A2 507/4885NOTUM 3874/4885RECQL 1119/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G CYP1A2 581/4885NOTUM 3700/4885RECQL 906/4885
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS SKP2, CDKN1A, MKI67 CYP1A2 710/4885NOTUM 4569/4885RECQL 2074/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK CYP1A2 1318/4885NOTUM 925/4885RECQL 2229/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP1A2 507/4885NOTUM 3874/4885RECQL 1119/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP1A2 507/4885NOTUM 3874/4885RECQL 1119/4885

“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.