SCHEMBL31349698

SCHEMBL31349698

CC(C)(C)n1nnc2cc(C#N)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CYP11B2 P19099 3/20 0.35
GRM5 P41594 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 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

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
SCHEMBL19915949 1.00 HCAR3 (0.54) HCAR3ALDH1A1KDM4EGLAGAA
SCHEMBL19848437 0.87 HCAR3 (0.43) HCAR3ALDH1A1KDM4EGLAGAA
SCHEMBL19915948 0.78 HCAR3 (0.50) HCAR3ALDH1A1KDM4EGLAGAA
SCHEMBL19911472 0.76 HCAR3 (0.59) HCAR3ALDH1A1GAAKMT2ATSHR
SCHEMBL19848531 0.75 GAA (0.41) HCAR3ALDH1A1KDM4EGLAGAA
SCHEMBL19915951 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EGLAGAACYP11B2
SCHEMBL21445739 0.75 HCAR3 (0.58) HCAR3ALDH1A1GAAKMT2ATSHR
SCHEMBL21669989 0.75 HCAR3 (0.58) HCAR3ALDH1A1GAAKMT2AKIF11
SCHEMBL19911588 0.75 HCAR3 (0.58) HCAR3ALDH1A1KDM4EGAAKMT2A
SCHEMBL19915950 0.75 GAA (0.43) ALDH1A1KDM4EGLAGAACYP11B2

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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 HCAR3 4585/4885ALDH1A1 4042/4885KDM4E 2567/4885

“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.