SCHEMBL1013968

SCHEMBL1013968

CC(C)Sc1ccccc1Nc1nc(Cl)nc2ncn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.37
KMT2A Q03164 1/20 0.36
YTHDC1 Q96MU7 2/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
CDK5 Q00535 3/20 0.35
DYRK1A Q13627 3/20 0.35
CDK5R1 Q15078 3/20 0.35
LCK P06239 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 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
SCHEMBL1017407 0.78 ALK (0.47) CDK2CDK5
SCHEMBL16204249 0.74 CDK9 (0.41) KMT2ACCNA2CDK2
SCHEMBL29024141 0.72 CCNA2 (0.36) CDK1KMT2ACCNA2CDK2CCNA1
SCHEMBL12546949 0.72 PLK4 (0.47) KMT2ACDK2ADRA2AADRA2BADRA2C
SCHEMBL183289 0.71 KCNN2 (0.43) KMT2AYTHDC1CCNA2CDK2CCNA1
SCHEMBL24327360 0.70 PSEN1 (0.33) CDK1KMT2AYTHDC1PSEN1PSEN2
SCHEMBL24715923 0.70 ULK1 (0.44) CDK1CDK2
SCHEMBL23606800 0.70 PIN1 (0.40) KMT2A
SCHEMBL30424513 0.70 YTHDC1 (0.33) CDK1KMT2AYTHDC1LCKPSEN1
SCHEMBL29015705 0.70 YTHDC1 (0.33) CDK1KMT2AYTHDC1LCKPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 EP disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 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 (1 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R CDK1 330/4885KMT2A 3930/4885YTHDC1 4464/4885

“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.