SCHEMBL13896445

SCHEMBL13896445

COC(=O)n1nc(-c2ccncn2)cc1NC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.46
▸ CYP3A4 P08684 5/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PRKACA P17612 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL13815635 0.87 F2 (0.43) F2CYP3A4GSK3BPRKACAROCK1
SCHEMBL13815667 0.78 KLK3 (0.45) F2CYP3A4GSK3BPRKACAROCK1
SCHEMBL13815632 0.72 F2 (0.38) F2CYP3A4GSK3BAAK1ALDH1A1
SCHEMBL19308440 0.71 TDP1 (0.55) LMNAHTTMEN1KMT2ATDP1
SCHEMBL17128913 0.68 F2 (0.42) F2GSK3BLMNAALDH1A1
SCHEMBL13896430 0.68 ADORA2A (0.37) LMNAHTTMEN1ALDH1A1KMT2A
SCHEMBL13896446 0.66 EGFR (0.40) CYP3A4LMNAMEN1ALDH1A1KMT2A
SCHEMBL20506149 0.63 F2 (1.00) F2KLKB1
SCHEMBL19308463 0.61 SORT1 (0.48) LMNAHTTMEN1ALDH1A1KMT2A
SCHEMBL13824324 0.61 BCHE (0.59) LMNAHTTALDH1A1MAPTHDAC1

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-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A F2 2304/4885CYP3A4 1410/4885GSK3B 307/4885

“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.

Send feedback