SCHEMBL5452962

SCHEMBL5452962

CCCc1nn(CC)c(NC=O)c1NC(=O)c1ccccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL28500406 0.89 MAPT (0.45) MAPTMAPK1GAAALOX15MEN1
SCHEMBL742 0.82 TERT (0.51) MAPTMAPK1GAAALOX15MEN1
SCHEMBL30357138 0.75 TERT (0.65) MAPTMAPK1GAAALOX15MEN1
SCHEMBL1792 0.75 TERT (0.65) MAPTMAPK1GAAALOX15MEN1
SCHEMBL963 0.71 MAPT (0.48) MAPTMAPK1GAAALOX15MEN1
SCHEMBL1669 0.68 TERT (0.64) MAPTMEN1KMT2ARXFP1LMNA
SCHEMBL1443 0.67 TERT (0.60) MAPTGAAALDH1A1LMNARAB9A
SCHEMBL7167114 0.66 MAPT (0.60) MAPTMAPK1GAAALOX15MEN1
SCHEMBL7442632 0.66 MAPK1 (0.50) MAPTMAPK1GAAALOX15MEN1
SCHEMBL8055429 0.66 TERT (0.56) MAPTMEN1KMT2ARXFP1LMNA

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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A MAPT 4758/4885MAPK1 1926/4885GAA 3413/4885

“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.