SCHEMBL21397211

SCHEMBL21397211

N[C@@H]1CCC(Nc2ncc(Cl)c(-c3cccnc3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.49
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CDK9 P50750 8/20 0.43
CDK7 P50613 8/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
CCNH P51946 1/20 0.43
BRAF P15056 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPK6 Q16659 1/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL16665655 1.00 CCNT1 (0.49) CCNT1KDM1AMAOAMAOBCDK9
SCHEMBL18069763 0.93 PIM1 (0.49) CCNT1CDK9CDK7CSNK1A1CCNH
Hydrochloric Acid SCHEMBL18047351 0.92 PIM1 (0.48) CCNT1CDK9CDK7CSNK1A1CCNH
SCHEMBL16665183 0.83 CDK7 (0.46) CCNT1CDK9CDK7CCNHBRAF
SCHEMBL16653686 0.79 CDK7 (0.47) CCNT1CDK9CDK7CSNK1A1CCNH
SCHEMBL16653683 0.79 CDK7 (0.47) CCNT1CDK9CDK7CSNK1A1CCNH
SCHEMBL28349716 0.78 CDK7 (0.43) CCNT1CDK9CDK7CCNHBRAF
SCHEMBL28349718 0.78 CDK7 (0.43) CCNT1CDK9CDK7CCNHBRAF
SCHEMBL31334650 0.78 ADORA1 (0.52) CCNT1CDK9CDK7CSNK1A1CCNH
SCHEMBL31333867 0.78 ADORA1 (0.52) CCNT1CDK9CDK7CSNK1A1CCNH

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 CCNT1 28/4885KDM1A 1697/4885MAOA 2849/4885

“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.