SCHEMBL13423652

SCHEMBL13423652

[2H]c1ccc(-c2nc(C)c3c(n2)CCN(C)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.36
ADK P55263 1/20 0.35
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 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
SCHEMBL2625323 0.84 HTR1A (0.39) GRM5ADKALDH1A1HTTHTR1A
SCHEMBL10220350 0.70 HTR1A (0.39) GRM5ALDH1A1HPGDHTR1ADRD2
SCHEMBL4072415 0.66 KDM4E (0.42) GRM5KMT2AALDH1A1MAPTHTT
SCHEMBL13423651 0.65 TDP2 (0.39) ADKKMT2AALDH1A1MAPTHPGD
SCHEMBL2625305 0.64 ALDH1A1 (0.40) KMT2AALDH1A1MAPTHPGDTSHR
SCHEMBL12965704 0.62 GRM5 (0.62) GRM5KMT2AALDH1A1
SCHEMBL2625325 0.61 HSF1 (0.35) ADKKMT2AALDH1A1MAPTHPGD
SCHEMBL2669107 0.59 GRM5 (0.58) GRM5KMT2A
SCHEMBL89125 0.59 L3MBTL1 (0.60) KMT2AALDH1A1MAPTHPGDHTT
SCHEMBL1746137 0.59 TSHR (0.48) ADKKMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 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 (1 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-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK GRM5 2133/4885ADK 142/4885KMT2A 4093/4885

“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.