SCHEMBL4994432

SCHEMBL4994432

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
S1PR1 P21453 14/20 0.40
S1PR3 Q99500 3/20 0.40
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 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
SCHEMBL5002321 0.94 CDC7 (0.47) CDC7S1PR1S1PR3ALDH1A1HPGD
SCHEMBL14188643 0.94 CDC7 (0.43) CDC7S1PR1S1PR3FPR2KDM4E
SCHEMBL14188605 0.93 CDC7 (0.43) CDC7S1PR1S1PR3FPR2KDM4E
SCHEMBL4994961 0.93 CDC7 (0.44) CDC7FPR2ALDH1A1KMT2AGAA
SCHEMBL4995825 0.91 CDC7 (0.46) CDC7S1PR1S1PR3FPR2KDM4E
SCHEMBL4997519 0.90 CDC7 (0.45) CDC7S1PR1S1PR3FPR2KDM4E
SCHEMBL4996618 0.89 CDC7 (0.41) CDC7S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL14188572 0.88 CDC7 (0.45) CDC7KDM4EALDH1A1KMT2AHPGD
SCHEMBL5002596 0.87 SHMT2 (0.46) CDC7S1PR1S1PR3ALDH1A1HPGD
SCHEMBL5000213 0.87 CDC7 (0.44) CDC7FPR2KMT2AHPGDHSD17B10

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 CDC7 487/4885S1PR1 3592/4885S1PR3 3131/4885

“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.