SCHEMBL5002648

SCHEMBL5002648

COc1cccc(OCc2ccccc2Cl)c1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CDC7 O00311 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL14188536 0.89 CDC7 (0.43) CDC7PIM1PIM2HTR2C
SCHEMBL4996509 0.88 SIRT2 (0.42) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4993334 0.88 CDC7 (0.40) RAB9ACDC7PIM1PIM2MEN1
SCHEMBL14188363 0.88 CDC7 (0.47) ALDH1A1CDC7HTR1APIM1PIM2
SCHEMBL4995813 0.87 CDC7 (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5002470 0.85 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4996386 0.84 CDC7 (0.40) MAPTCDC7ADRA1DADRA1AADRA1B
SCHEMBL4994984 0.83 CYP1A2 (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5000330 0.82 MAPT (0.41) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5002384 0.82 SLC6A4 (0.42) HPGDKDM4EALDH1A1MAPTSMN1; SMN2

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 HPGD 664/4885KDM4E 2647/4885ALDH1A1 4153/4885

“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.