SCHEMBL5000074

SCHEMBL5000074

O=C(CN1CCOCC1)Nc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TOP2A P11388 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
WNT3A P56704 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
JAK3 P52333 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL5002141 0.89 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL5002479 0.87 MEN1 (0.49) ALDH1A1MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL4993317 0.87 POLB (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4994849 0.84 CDC7 (0.44) ALDH1A1MAPTKDM4EHSD17B10TOP2A
SCHEMBL14188571 0.79 CDC7 (0.44) MAPTHSD17B10MEN1KMT2ATSHR
SCHEMBL4994720 0.77 RPS6KA3 (0.44) MAPTSMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL5000181 0.77 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4997121 0.76 CDC7 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL4994749 0.75 CDC7 (0.46)
SCHEMBL4996893 0.75 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 ALDH1A1 4153/4885MAPT 1363/4885SMN1; SMN2 3576/4885

“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.