SCHEMBL21531956

SCHEMBL21531956

CC(C)Cc1ccnn2ccnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SMPD3 Q9NY59 2/20 0.33
CDK2 P24941 1/20 0.33
AXL P30530 1/20 0.33
TP53 P04637 1/20 0.32
ADRA2C P18825 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9911040 0.80 KDM4E (0.41) SMPD3CDK2AXLIRAK4KDM4E
SCHEMBL9934113 0.77 SMPD3 (0.35) SMPD3CDK2AXLTP53IRAK4
SCHEMBL19155876 0.76 NPC1 (0.35) SMPD3CDK2AXLHTR2AHTR2C
SCHEMBL19772846 0.76 GABRA1 (0.40) GABRA1GABRB2TP53ADRA2CHTR2A
SCHEMBL14667001 0.73 SMPD3 (0.36) GABRA1GABRB2SMPD3CDK2AXL
SCHEMBL9124027 0.70 SMPD3 (0.39) SMPD3CDK2AXLIRAK4KDM4E
SCHEMBL9924212 0.69 SMPD3 (0.36) SMPD3CDK2AXLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31619326 0.68 SMPD3 (0.38) SMPD3CDK2AXLIRAK4KDM4E
SCHEMBL19155604 0.68 SMPD3 (0.33) SMPD3AXLALDH1A1
SCHEMBL19574790 0.67 GABRA1 (0.37) GABRA1GABRB2TLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 GABRA1 810/4885GABRB2 675/4885SMPD3 4266/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 GABRA1 810/4885GABRB2 675/4885SMPD3 4266/4885

“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.