SCHEMBL4100395

SCHEMBL4100395

Clc1ncc(Cl)c(Nc2cccc3c2SCCC3)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.35
CDK2 P24941 8/20 0.35
CCNK O75909 8/20 0.34
CCND3 P30281 8/20 0.34
CDK9 P50750 8/20 0.34
CDK6 Q00534 8/20 0.34
INSR P06213 3/20 0.34
MET P08581 2/20 0.34
ALK Q9UM73 3/20 0.34
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAPK3 P27361 1/20 0.32
BCL6 P41182 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
SCHEMBL24327013 0.76 INSR (0.39) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL29661346 0.76 INSR (0.39) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL4099937 0.74 CXCR2 (0.44) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL29661395 0.72 MAP4K1 (0.38) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL24327605 0.72 MAP4K1 (0.38) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL30141686 0.71 CCNA2 (0.41) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL2062564 0.71 IGF1R (0.54) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL25005398 0.70 NOTUM (0.47) METALKMAPK3
SCHEMBL8901220 0.69 ADRA2A (0.38) HTR1AADRA2ASLC6A2SLC6A4
SCHEMBL24620238 0.68 MAPK10 (0.43) CCNA2CDK2CCNKCCND3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017041771-A1 PROCESS FOR THE PREPARATION OF CERITINIB USING \"IN SITU\" PREPARED 5-METHYL-2-(1 -METHYLETHOXY)-4-(4-PIPERIDINYL)-BENZENAMINE MONOHYDROCHLORIDE (1 :1 ) AS AN INTERMEDIATE ZENTIVA, K.S. (CZ) 2017-03-16 WO disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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 (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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS CCNA2 289/4885CDK2 43/4885CCNK 398/4885

“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.