SCHEMBL374566

SCHEMBL374566

CCN1CCN(c2ccc(Nc3ncnc(NC)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.53
CCNK O75909 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCND3 P30281 1/20 0.53
CDK6 Q00534 1/20 0.53
KDM1A O60341 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
PTK2 Q05397 8/20 0.52
WEE1 P30291 5/20 0.52
ALK Q9UM73 5/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PDGFRA P16234 3/20 0.51
FGFR1 P11362 3/20 0.51
NTRK1 P04629 2/20 0.51
AURKA O14965 2/20 0.51
DAPK3 O43293 2/20 0.51
JAK2 O60674 2/20 0.51

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
SCHEMBL374403 0.85 ALK (0.56) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL20816283 0.84 MAPT (0.54) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL374559 0.82 WEE1 (0.48) CDK9CCNA2CDK2CCND3WEE1
SCHEMBL19409829 0.80 RAD52 (0.62) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL374708 0.80 HCK (0.58) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL17466591 0.77 CDK9 (0.59) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL2377742 0.77 RAD52 (0.62) KDM1AADRA2AADRA2BADRA2CRAD52
SCHEMBL4948699 0.77 WEE1 (0.65) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL29371810 0.77 KDM1A (0.62) CDK9CCNKCCNA2CDK2CCND3
SCHEMBL28202825 0.76 KDM1A (0.56) CDK9CCNKCCNA2CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624897-B2 Chlorobenzene substituted azaaryl compounds TAIPEI MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 US disclosed
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8552002-B2 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
EP-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN 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 (5 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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CDK9 151/4885CCNK 221/4885CCNA2 484/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CDK9 151/4885CCNK 221/4885CCNA2 484/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CDK9 151/4885CCNK 221/4885CCNA2 484/4885
US-10624897-B2 Chlorobenzene substituted azaaryl compounds MKI67, CTCF, CDKN1A CDK9 184/4885CCNK 325/4885CCNA2 53/4885
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS MKI67, CTCF, CDKN1A CDK9 184/4885CCNK 325/4885CCNA2 53/4885

“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.