SCHEMBL21178504

SCHEMBL21178504

NC(=S)c1ccc2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
NUDT1 P36639 1/20 0.38
BRD4 O60885 1/20 0.34
RIPK1 Q13546 2/20 0.33
APP P05067 1/20 0.33
CCNT1 O60563 1/20 0.32
CCND1 P24385 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
MAPK1 P28482 1/20 0.31
KDM5A P29375 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
TYR P14679 1/20 0.31
DYRK1A Q13627 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL19463620 0.81 PIM1 (0.43) AXLNUDT1RIPK1CCNT1CCND1
SCHEMBL21188434 0.81 F2 (0.41) AXLNUDT1BRD4RIPK1APP
SCHEMBL12653340 0.78 AXL (0.36) AXLNUDT1BRD4RIPK1APP
SCHEMBL27732331 0.76 AXL (0.41) AXLNUDT1BRD4RIPK1APP
SCHEMBL1855794 0.74 MGAM (0.46) AXLNUDT1BRD4KDM5A
SCHEMBL24572003 0.73 AXL (0.38) AXLNUDT1BRD4RIPK1APP
SCHEMBL23970943 0.73 CDK8 (0.41) AXLNUDT1BRD4RIPK1CDK8
SCHEMBL21178857 0.72 AXL (0.37) AXLNUDT1BRD4RIPK1APP
SCHEMBL1161415 0.70 CDK8 (0.43) BRD4CDK8MAPK1
SCHEMBL30487055 0.70 CDK8 (0.43) BRD4CDK8MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2022-09-29 US disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 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 (3 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK AXL 1078/4885NUDT1 2365/4885BRD4 554/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK AXL 1078/4885NUDT1 2365/4885BRD4 554/4885
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK AXL 1078/4885NUDT1 2365/4885BRD4 554/4885

“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.