SCHEMBL4991303

SCHEMBL4991303

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CFTR P13569 1/20 0.37
S1PR1 P21453 2/20 0.37
MEN1 O00255 2/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
THRB P10828 2/20 0.35
DCTPP1 Q9H773 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
SCHEMBL4996334 0.92 CFTR (0.44) HPGDKMT2AMAPTLMNACDC7
SCHEMBL5002321 0.89 CDC7 (0.47) HPGDMAPTCDC7SMN1; SMN2S1PR1
SCHEMBL4997595 0.87 CDC7 (0.37) HPGDKMT2AMAPTLMNACDC7
SCHEMBL4994016 0.87 CDC7 (0.37) HPGDKMT2AMAPTLMNACDC7
SCHEMBL5002697 0.86 HSD17B10 (0.41) HPGDMAPTLMNACDC7NPC1
SCHEMBL4997519 0.86 CDC7 (0.45) HPGDKMT2ALMNACDC7SMN1; SMN2
SCHEMBL4994432 0.85 CDC7 (0.43) HPGDKMT2ACDC7S1PR1ALDH1A1
SCHEMBL4995825 0.85 CDC7 (0.46) HPGDKMT2AMAPTLMNACDC7
SCHEMBL4991409 0.85 MAPT (0.49) KMT2AMAPTLMNASMN1; SMN2S1PR1
SCHEMBL4996618 0.85 CDC7 (0.41) KMT2AMAPTLMNACDC7SMN1; 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 664/4885KMT2A 1490/4885MAPT 1363/4885

“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.