SCHEMBL4569754

SCHEMBL4569754

CC(C)(C)c1ccnc2c1ccn2C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.33
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL14549683 0.80 CAMKK1 (0.35)
SCHEMBL18026017 0.80 CCR1 (0.41) TNKSCYP17A1CYP1A2
SCHEMBL13688639 0.79 NCF1 (0.36) TNKSCYP17A1CYP1A2
SCHEMBL18448753 0.79 MGAM (0.36) TNKSCYP17A1CYP1A2
SCHEMBL15079232 0.77
SCHEMBL18852737 0.76 TNKS (0.31) TNKS
SCHEMBL18232751 0.74 HTR3A (0.34) TNKSCYP1A2
SCHEMBL24656162 0.73 HTR6 (0.33)
SCHEMBL16544513 0.73 PDE4A (0.33)
SCHEMBL25527201 0.73 HTR6 (0.33)

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-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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 (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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 TNKS 3070/4885CYP17A1 3840/4885CYP1A2 3721/4885
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 TNKS 427/4885CYP17A1 1843/4885CYP1A2 1316/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 TNKS 767/4885CYP17A1 3924/4885CYP1A2 3778/4885

“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.