SCHEMBL2321728

SCHEMBL2321728

Cc1cccc(-c2ccnc(Nc3ccccn3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA1 P78396 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ALPL P05186 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
PPP1CA P62136 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL2819228 0.86 CDK4 (0.54) CDK4CCND1CCNA2CDK2CDK1
SCHEMBL2822611 0.78 KMT2A (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2823600 0.78 KCNN1 (0.62) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL226477 0.77 KMT2A (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3957843 0.76 GRM5 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5621970 0.75 CDK2 (0.72) CDK4CCND1CDK2CDK1NPC1
SCHEMBL29595637 0.75 KDM4E (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL254903 0.75 KDM4E (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20919346 0.73 KMT2A (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14255745 0.73 KDM4E (0.75) MEN1KMT2ANPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN claimed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP claimed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 WO claimed
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN disclosed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 CDK4 2640/4885CCND1 3781/4885CCNA2 3154/4885
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS PRXL2A, AZI2, PIR CDK4 2063/4885CCND1 929/4885CCNA2 1089/4885

“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.