SCHEMBL19557698

SCHEMBL19557698

BC(B)(B)C(B)(Sc1ccccc1Nc1nc(Cl)ncc1Cl)C(B)(B)B

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNK O75909 3/20 0.38
CDK9 P50750 3/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 2/20 0.38
BCL6 P41182 1/20 0.37
ALK Q9UM73 1/20 0.36
LRRK2 Q5S007 3/20 0.36
ULK1 O75385 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
AURKA O14965 2/20 0.35
IGF1R P08069 1/20 0.35
KMT2A Q03164 1/20 0.34
PIN1 Q13526 1/20 0.33
AURKB Q96GD4 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
SCHEMBL21169786 0.88 ULK1 (0.35) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL19557729 0.87 MAPK8 (0.42) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL24073506 0.82 CCNA2 (0.44) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL30223473 0.82 CCNA2 (0.44) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL25839416 0.78 LRRK2 (0.43) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL16204249 0.77 CDK9 (0.41) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL24716303 0.77 KMT2A (0.44) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL2062564 0.77 IGF1R (0.54) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL17879578 0.75 CDK9 (0.39) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL17879582 0.73 CDK9 (0.38) CCNA2CDK2CCNKCDK9CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2020-04-14 US disclosed
US-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD (CN) 2018-02-15 US disclosed
US-9809572-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-07 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-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds DCK, DPYD, BRAF CCNA2 1287/4885CDK2 73/4885CCNK 213/4885
US-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, BRAF CCNA2 1287/4885CDK2 73/4885CCNK 213/4885

“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.