SCHEMBL21397324

SCHEMBL21397324

Cc1nc(C)c(-c2nc(NC3CC[C@@H](N)C3)ncc2Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.45
KDR P35968 1/20 0.45
CDK7 P50613 10/20 0.45
CDK9 P50750 9/20 0.45
CCNT1 O60563 6/20 0.45
CCNH P51946 5/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
MAPK6 Q16659 6/20 0.42
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CCNK O75909 2/20 0.37
MNAT1 P51948 2/20 0.37

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
SCHEMBL16665608 1.00 CDK1 (0.45) CDK1KDRCDK7CDK9CCNT1
SCHEMBL16665607 0.78 BTK (0.43) CDK1KDRCDK7CDK9CCNH
SCHEMBL21397323 0.78 BTK (0.43) CDK1KDRCDK7CDK9CCNH
SCHEMBL21397410 0.78 CDK7 (0.45) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL16665651 0.78 CDK7 (0.45) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL16665691 0.74 CCNT1 (0.49) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL18074078 0.74 CCNT1 (0.49) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL18074046 0.74 CCNK (0.49) CDK1CDK2CCNE1CDK5CDK5R1
SCHEMBL23153437 0.73 CDK7 (0.54) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL21397211 0.72 CCNT1 (0.49) CDK7CDK9CCNT1CCNHCSNK1A1

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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CDK1 6/4885KDR 714/4885CDK7 1/4885

“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.