SCHEMBL21397410

SCHEMBL21397410

Cc1noc(C)c1-c1nc(NC2CC[C@@H](N)C2)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.45
CDK9 P50750 8/20 0.45
CCNT1 O60563 4/20 0.45
CCNH P51946 2/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
MAPK6 Q16659 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CCNK O75909 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL16665651 1.00 CDK7 (0.45) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL21397349 0.78 BTK (0.41) CDK7CDK9
SCHEMBL16665652 0.78 BTK (0.41) CDK7CDK9
SCHEMBL21397324 0.78 CDK1 (0.45) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL16665608 0.78 CDK1 (0.45) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL23336389 0.77 BRD4 (0.45) CYP3A4ALOX15HSD17B10TDP1CYP1A2
SCHEMBL21397411 0.76 MAPK1 (0.37)
SCHEMBL22252797 0.76 CDK9 (0.62) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL22228805 0.76 CDK9 (0.62) CDK7CDK9CCNT1CCNHCSNK1A1
SCHEMBL31500950 0.76 CDK9 (0.62) 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 CDK7 1/4885CDK9 8/4885CCNT1 28/4885

“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.