SCHEMBL21397323

SCHEMBL21397323

Cc1nc(C)c(-c2nc(NC3CC[C@@H](NC(=O)OC(C)(C)C)C3)ncc2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.43
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
CDK7 P50613 5/20 0.38
MAPK1 P28482 3/20 0.38
JAK1 P23458 3/20 0.37
JAK2 O60674 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CDK9 P50750 1/20 0.35
PIK3CD O00329 1/20 0.35
CCNH P51946 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL16665607 1.00 BTK (0.43) BTKCDK1KDRCDK7MAPK1
SCHEMBL21397349 0.82 BTK (0.41) BTKCDK7MAPK1JAK1MAPK8
SCHEMBL16665652 0.82 BTK (0.41) BTKCDK7MAPK1JAK1MAPK8
SCHEMBL16665663 0.81 BTK (0.47) BTKCDK7MAPK1JAK1JAK2
SCHEMBL18074058 0.81 BTK (0.47) BTKCDK7MAPK1JAK1JAK2
SCHEMBL21397324 0.78 CDK1 (0.45) CDK1KDRCDK7CDK9CCNH
SCHEMBL16665608 0.78 CDK1 (0.45) CDK1KDRCDK7CDK9CCNH
SCHEMBL21397214 0.78 BTK (0.45) BTKCDK7MAPK1JAK1JAK2
SCHEMBL16665714 0.78 BTK (0.45) BTKCDK7MAPK1JAK1JAK2
SCHEMBL16665591 0.78 CDK12 (0.51) CDK7MAPK8MAPK9MAPK10CDK9

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 3043/4885CDK1 6/4885KDR 714/4885

“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.