SCHEMBL4993909

SCHEMBL4993909

COc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
CYP1A2 P05177 9/20 0.46
CLK4 Q9HAZ1 8/20 0.46
DYRK1A Q13627 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
EGFR P00533 1/20 0.46
CYP3A4 P08684 8/20 0.44
CYP2D6 P10635 7/20 0.44
CYP2C19 P33261 6/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL5002670 0.92 EGFR (0.43) CDC7CYP1A2CLK4DYRK1ATDP1
SCHEMBL14188461 0.90 CYP1A2 (0.53) CDC7CYP1A2TDP1EGFRCYP3A4
SCHEMBL4997394 0.90 CDC7 (0.46) CDC7CYP1A2TDP1EGFRTP53
SCHEMBL14188466 0.90 CDC7 (0.48) CDC7CYP1A2EGFRCYP3A4CYP2D6
SCHEMBL4997509 0.88 CDC7 (0.51) CDC7CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL14188607 0.87 CDC7 (0.46) CDC7EGFRPIM1PIM2
SCHEMBL14188541 0.87 CDC7 (0.46) CDC7DYRK1APIM1
SCHEMBL4994552 0.87 ABL1 (0.45) CDC7EGFRCYP2C8KMT2AALDH1A1
SCHEMBL4996999 0.87 CDC7 (0.42) CDC7CYP1A2TDP1EGFRMAPT
SCHEMBL5002663 0.86 CDC7 (0.51) CDC7CLK4MEN1KMT2APIM1

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 487/4885CYP1A2 1229/4885CLK4 712/4885

“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.