SCHEMBL21178664

SCHEMBL21178664

Cc1noc(C)c1-c1ccc2cn[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.46
BRD4 O60885 8/20 0.41
BRD2 P25440 1/20 0.41
CYP1A2 P05177 6/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
CDK2 P24941 2/20 0.39
FLT3 P36888 1/20 0.39
CCNA1 P78396 1/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.37
MBOAT4 Q96T53 1/20 0.37

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
SCHEMBL21178323 0.78 BRD4 (0.55) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL24087353 0.77 JAK2 (0.42) NSD3BRD4BRD2CYP1A2MEN1
SCHEMBL17875699 0.74 BRD4 (0.40) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL21178739 0.74 BRD4 (0.40) NSD3BRD4BRD2CYP1A2MEN1
SCHEMBL17581434 0.73 BRD4 (0.63) NSD3BRD4BRD2JAK2
SCHEMBL21179061 0.72 MAPT (0.33) ALDH1A1CDK2CCNA1MAPK1
SCHEMBL17813464 0.72 BRD4 (0.45) BRD4BRD2CYP2C9JAK2
SCHEMBL17581505 0.71 BRD4 (0.68) NSD3BRD4BRD2
SCHEMBL21178417 0.71 CCNT1 (0.42) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL3577217 0.70 BRD4 (0.49) BRD4BRD2CYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK NSD3 1129/4885BRD4 554/4885BRD2 1598/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK NSD3 1129/4885BRD4 554/4885BRD2 1598/4885

“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.