SCHEMBL16665663

SCHEMBL16665663

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Nc2ncc(Cl)c(-c3cc[nH]n3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.47
JAK1 P23458 5/20 0.41
JAK2 O60674 2/20 0.40
CDK7 P50613 4/20 0.40
MAPK1 P28482 2/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CCNT1 O60563 1/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
JUN P05412 1/20 0.37
CDK2 P24941 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL18074058 1.00 BTK (0.47) BTKJAK1JAK2CDK7MAPK1
SCHEMBL16665590 0.81 CCNT1 (0.41) CDK7MAPK1CCNT1CDK2
SCHEMBL16665607 0.81 BTK (0.43) BTKJAK1JAK2CDK7MAPK1
SCHEMBL21397214 0.81 BTK (0.45) BTKJAK1JAK2CDK7MAPK1
SCHEMBL21397323 0.81 BTK (0.43) BTKJAK1JAK2CDK7MAPK1
SCHEMBL16665714 0.81 BTK (0.45) BTKJAK1JAK2CDK7MAPK1
SCHEMBL30556191 0.80 BTK (0.42) BTKJAK1JAK2CDK7MAPK1
SCHEMBL26508007 0.80 BTK (0.42) BTKJAK1JAK2CDK7MAPK1
SCHEMBL22241892 0.79 JAK1 (0.52) BTKJAK1JAK2CKS1BSKP1
SCHEMBL21397349 0.79 BTK (0.41) BTKJAK1CDK7MAPK1CKS1B

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 3 patents. 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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO 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 (2 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 3043/4885JAK1 285/4885JAK2 460/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 BTK 3238/4885JAK1 324/4885JAK2 269/4885

“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.