SCHEMBL14188643

SCHEMBL14188643

CCCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 2/20 0.40
XBP1 P17861 1/20 0.40
S1PR1 P21453 11/20 0.37
S1PR3 Q99500 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14188605 0.95 CDC7 (0.43) CDC7FPR2KDM4EXBP1S1PR1
SCHEMBL5002321 0.95 CDC7 (0.47) CDC7S1PR1S1PR3ALDH1A1HPGD
SCHEMBL4994432 0.94 CDC7 (0.43) CDC7FPR2KDM4ES1PR1S1PR3
SCHEMBL5000213 0.94 CDC7 (0.44) CDC7FPR2MEN1KMT2AHPGD
SCHEMBL4995825 0.92 CDC7 (0.46) CDC7FPR2KDM4ES1PR1S1PR3
SCHEMBL4997519 0.91 CDC7 (0.45) CDC7FPR2KDM4ES1PR1S1PR3
SCHEMBL4994509 0.89 CDC7 (0.43) CDC7FPR2KDM4EMEN1KMT2A
SCHEMBL5002596 0.88 SHMT2 (0.46) CDC7S1PR1S1PR3ALDH1A1HPGD
SCHEMBL14188684 0.88 CDC7 (0.46) CDC7S1PR1S1PR3ALDH1A1MEN1
SCHEMBL5002697 0.88 HSD17B10 (0.41) CDC7KDM4ES1PR1S1PR3ALDH1A1

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 2 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

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 487/4885FPR2 755/4885KDM4E 2647/4885

“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.