SCHEMBL4996509

SCHEMBL4996509

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
S1PR1 P21453 2/20 0.40
S1PR5 Q9H228 1/20 0.40
CDC7 O00311 1/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5000330 0.94 MAPT (0.41) SIRT2SIRT1SIRT3SIRT5MAPT
SCHEMBL4991808 0.91 S1PR1 (0.41) MAPTGAAS1PR1S1PR5CDC7
SCHEMBL5002470 0.90 SMN1; SMN2 (0.39) SIRT2SIRT1SIRT3SIRT5MAPT
SCHEMBL5002648 0.88 HPGD (0.40) SIRT2SIRT1SIRT3SIRT5MAPT
SCHEMBL4994984 0.88 CYP1A2 (0.40) SIRT2SIRT1SIRT3SIRT5MAPT
SCHEMBL4997120 0.88 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL14188666 0.86 CDC7 (0.46) CDC7KMT2AMEN1LRRK2
SCHEMBL14188457 0.86 CDC7 (0.50) CDC7LRRK2
SCHEMBL4995813 0.85 CDC7 (0.40) MAPTSMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL4995825 0.85 CDC7 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD

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 SIRT2 394/4885SIRT1 603/4885SIRT3 808/4885

“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.