SCHEMBL17879582

SCHEMBL17879582

[2H]C([2H])([2H])C([2H])(Sc1ccccc1Nc1nc(Cl)ncc1Cl)C([2H])([2H])[2H]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.38
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNK O75909 3/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 2/20 0.38
ALK Q9UM73 2/20 0.37
LRRK2 Q5S007 5/20 0.36
ULK1 O75385 1/20 0.36
KMT2A Q03164 1/20 0.35
BCL6 P41182 1/20 0.35
CDK7 P50613 3/20 0.34
MAPK8 P45983 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL17879578 0.93 CDK9 (0.39) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL16204249 0.85 CDK9 (0.41) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL24073506 0.82 CCNA2 (0.44) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL30223473 0.82 CCNA2 (0.44) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL25839416 0.78 LRRK2 (0.43) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL24716303 0.77 KMT2A (0.44) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL19557729 0.76 MAPK8 (0.42) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL17879581 0.74 ALK (0.52) CDK9CDK2CDK6ALKCDK7
SCHEMBL2062564 0.74 IGF1R (0.54) CDK9CCNA2CDK2CCNKCCND3
SCHEMBL19557698 0.73 CCNA2 (0.38) CDK9CCNA2CDK2CCNKCCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 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 (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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 CDK9 23/4885CCNA2 1133/4885CDK2 61/4885

“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.