SCHEMBL17879710

SCHEMBL17879710

Cc1cn(C)c(=O)c2c1ccn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.41
BRD9 Q9H8M2 4/20 0.35
BRD7 Q9NPI1 1/20 0.35
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM6A O15550 1/20 0.34
KDM4A O75164 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DOHH Q9BU89 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
GAA P10253 1/20 0.34
PTPN1 P18031 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CRBN Q96SW2 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15801424 0.92 GAA (0.38) BRD4BRD9BRD7CYP2C9KDM4E
SCHEMBL22729417 0.84 BRD4 (0.44) BRD4BRD9BRD7CYP2C9KDM4E
SCHEMBL23575586 0.78 BRD4 (0.34) BRD4BRD9BRD7GAAPTPN1
SCHEMBL31590140 0.76 BRD9 (0.43) BRD4BRD9BRD7
SCHEMBL27438221 0.73 BRD4 (0.56) BRD4KDM4EL3MBTL1
SCHEMBL16382719 0.72 KDM4E (0.38) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL147301 0.71 BRD4 (0.67) BRD4BRD9BRD7L3MBTL1POLB
SCHEMBL31590072 0.71 BRD4 (0.46) BRD4BRD9BRD7
SCHEMBL15788359 0.71 KDM4E (0.37) BRD4BRD9CYP2C9KDM4EKDM6A
SCHEMBL15519363 0.71 GAA (0.37) BRD4BRD9CYP2C9KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068755-A1 COMPOUND HAVING BRD4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2021-04-15 WO disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
US-20160185769-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-06-30 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 (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-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 BRD4 1/4885BRD9 16/4885BRD7 13/4885
US-20160185769-A1 Bromodomain Inhibitors BRD1, BRD4, BRD3 BRD4 2/4885BRD9 26/4885BRD7 11/4885

“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.