SCHEMBL4991072

SCHEMBL4991072

COc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
FYN P06241 5/20 0.38
HIF1A Q16665 3/20 0.38
MAPT P10636 3/20 0.37
RAD52 P43351 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MTOR P42345 1/20 0.37
GUSB P08236 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.35
RPS6KA3 P51812 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
SCHEMBL4999698 0.90 CYP1A2 (0.47) CDC7PIM1PIM2KDM4ECYP1A2
SCHEMBL14188362 0.89 CDC7 (0.44) CDC7PIM1PIM2MAPTCYP1A2
SCHEMBL14188654 0.87 CDC7 (0.47) CDC7PIM1PIM2ALDH1A1PARP1
SCHEMBL14188363 0.87 CDC7 (0.47) CDC7PIM1PIM2CYP1A2CYP2C19
SCHEMBL4996084 0.87 CDC7 (0.42) CDC7PIM1PIM2KDM4EMAPT
SCHEMBL4995051 0.85 CDC7 (0.40) CDC7PIM1PIM2KDM4ECYP1A2
SCHEMBL14188660 0.85 CDC7 (0.46) CDC7PIM1PIM2PARP1
SCHEMBL14188392 0.85 CDC7 (0.47) CDC7PIM1PIM2KDM4ECYP1A2
SCHEMBL14188663 0.83 CDC7 (0.44) CDC7PIM1PIM2FYNCYP1A2
SCHEMBL14188662 0.83 PIM1 (0.47) CDC7PIM1PIM2PARP1

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 487/4885PIM1 539/4885PIM2 309/4885

“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.