SCHEMBL20929322

SCHEMBL20929322

CNCCNc1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
RRM2 P31350 2/20 0.35
WEE1 P30291 1/20 0.34
ALPL P05186 1/20 0.34
STK17A Q9UEE5 1/20 0.34
NAMPT P43490 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL5694416 0.85 MAOA (0.43) MAPTNOS3NOS2GAANAMPT
SCHEMBL19981909 0.82 ADRA2A (0.40) MAPTNOS3NOS2GAAADRA2A
SCHEMBL22175094 0.81 MAPT (0.38) MAPTNOS3NOS2GAAADRA2A
SCHEMBL18779716 0.79 KCNH3 (0.40) NOS3NOS2GAAADRA2AADRA2B
SCHEMBL20037762 0.79 MAPT (0.43) MAPTGAASTK17AKDM4ETAAR1
SCHEMBL2483964 0.79 KCNH3 (0.48) MAPTNOS3NOS2GAAALPL
SCHEMBL28820864 0.79 NOS3 (0.42) MAPTNOS3NOS2GAAADRA2A
SCHEMBL16963191 0.79 HRH3 (0.47) NOS3NOS2GAAHRH3
SCHEMBL2487033 0.79 ADRA2A (0.53) MAPTNOS3NOS2ADRA2AADRA2B
SCHEMBL20878669 0.78 MTNR1A (0.48) NAMPTGABRPGABRDGABRA1GABRB1

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
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-07-15 US disclosed
WO-2019079375-A1 PYRIMIDINE ΤΒΚ/ΙΚΚε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 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 (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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAPT 3636/4885NOS3 3916/4885NOS2 3764/4885
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA MAPT 1313/4885NOS3 3191/4885NOS2 2698/4885
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA MAPT 1313/4885NOS3 3191/4885NOS2 2698/4885

“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.