SCHEMBL21178739

SCHEMBL21178739

Cc1noc(C)c1-c1ccc2c(I)n[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
JAK2 O60674 1/20 0.39
BRD2 P25440 1/20 0.37
MTOR P42345 1/20 0.37
CYP1A2 P05177 9/20 0.37
CLK4 Q9HAZ1 6/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HIF1A Q16665 1/20 0.37
CYP2C19 P33261 5/20 0.36
CYP3A4 P08684 5/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 2/20 0.36
USP2 O75604 3/20 0.36
ALOX15 P16050 3/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 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
SCHEMBL24087353 0.87 JAK2 (0.42) BRD4JAK2BRD2MTORCYP1A2
SCHEMBL21178841 0.75 LRRK2 (0.30)
SCHEMBL21178664 0.74 NSD3 (0.46) BRD4JAK2BRD2MTORCYP1A2
SCHEMBL21178417 0.72 CCNT1 (0.42) BRD4BRD2MTORCYP1A2CLK4
SCHEMBL17581420 0.72 JAK2 (0.61) BRD4JAK2BRD2CYP1A2CLK4
SCHEMBL17581457 0.71 BRD4 (0.68) BRD4JAK2
SCHEMBL21178323 0.71 BRD4 (0.55) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL17813464 0.70 BRD4 (0.45) BRD4JAK2BRD2CYP2C9
SCHEMBL30445560 0.70 ADORA1 (0.46) KMT2A
SCHEMBL12525866 0.70 ADORA1 (0.46) KMT2A

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 BRD4 554/4885JAK2 391/4885BRD2 1598/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK BRD4 554/4885JAK2 391/4885BRD2 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.