SCHEMBL21397214

SCHEMBL21397214

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
MAPK1 P28482 5/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KDM4D Q6B0I6 2/20 0.41
SYK P43405 2/20 0.40
BRAF P15056 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CDK7 P50613 1/20 0.39
DRD2 P14416 1/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL16665714 1.00 BTK (0.45) BTKMAPK1CKS1BSKP1SKP2
SCHEMBL16665140 0.96 CDK7 (0.43) BTKMAPK1CKS1BSKP1SKP2
SCHEMBL16665132 0.86 CDK7 (0.52) MAPK1CDK7DRD2
SCHEMBL18047303 0.86 CDK7 (0.52) MAPK1CDK7DRD2
SCHEMBL21397371 0.84 MAPK1 (0.42) MAPK1SYKBRAFPDE4APDE4B
SCHEMBL16653686 0.82 CDK7 (0.47) MAPK1SYKBRAFPDE4APDE4B
SCHEMBL16653683 0.82 CDK7 (0.47) MAPK1SYKBRAFPDE4APDE4B
SCHEMBL31334352 0.81 CKS1B (0.51) BTKMAPK1CKS1BSKP1SKP2
SCHEMBL31333690 0.81 CKS1B (0.51) BTKMAPK1CKS1BSKP1SKP2
SCHEMBL18074058 0.81 BTK (0.47) BTKMAPK1CKS1BSKP1SKP2

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 BTK 3043/4885MAPK1 538/4885CKS1B 54/4885

“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.