SCHEMBL3950995

SCHEMBL3950995

Cc1ccccc1Nc1ncccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MAPK10 P53779 1/20 0.55
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
RET P07949 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
PTK2 Q05397 1/20 0.50
LRRK2 Q5S007 1/20 0.50
KDR P35968 1/20 0.50
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL3265738 0.84 MEN1 (0.58) MAPK10CDK1KDRCDK2LMNA
SCHEMBL13750837 0.82 HTT (0.59) HTTLRRK2CCNA2CDK2CDK5
SCHEMBL4491188 0.80 HTT (0.62) HTTMAPK10CCNB2CDK1RET
SCHEMBL29430401 0.80 HTT (0.62) HTTMAPK10CCNB2CDK1RET
SCHEMBL28734979 0.79 MAPK10 (0.51) HTTMAPK10CCNB2CDK1RET
SCHEMBL31220877 0.79 MAPK10 (0.73) HTTMAPK10PTK2KDRCCNA2
SCHEMBL7941542 0.79 MAPK10 (0.73) HTTMAPK10PTK2KDRCCNA2
SCHEMBL7982557 0.79 NPC1 (0.52) HTTMAPK10KDRCCNA2CDK2
SCHEMBL30114717 0.79 HSD17B10 (0.59) HTTKDRLMNANPC1RAB9A
SCHEMBL29511793 0.78 HTT (0.59) HTTMAPK10ADRA2AADRA2BADRA2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613504-A1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS Johnson Matthey Public Limited Company (GB) 2020-02-26 EP disclosed
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 EP disclosed
CN-107721991-B A kind of 6- (pyrimidine-4-yl) -1H- indazole derivative and its preparation method and application 南方医科大学中西医结合医院 2019-10-18 CN disclosed
US-10167305-B2 Allyl complexes for use in coupling reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-01 US disclosed
CN-107721991-A A kind of 6 (base of pyrimidine 4) 1H indazole derivatives and its preparation method and application 南方医科大学中西医结合医院 2018-02-23 CN disclosed
US-20130165660-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-27 US disclosed
EP-2585216-A1 COMPLEXES Johnson Matthey PLC (GB) 2013-05-01 EP disclosed
WO-2011161451-A1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2011-12-29 WO disclosed
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 US disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 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 (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-10167305-B2 Allyl complexes for use in coupling reactions AP3M1, AP1M1, C9 HTT 4759/4885MAPK10 2748/4885CCNB2 653/4885
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 HTT 1416/4885MAPK10 4046/4885CCNB2 994/4885

“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.