SCHEMBL4994552

SCHEMBL4994552

COc1cccc(C(=O)c2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.45
BCR P11274 5/20 0.45
CDC7 O00311 1/20 0.42
EGFR P00533 1/20 0.40
RPS6KA2 Q15349 2/20 0.39
GPR6 P46095 1/20 0.39
CYP2C8 P10632 1/20 0.39
GRM5 P41594 1/20 0.38
STS P08842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
PARP1 P09874 1/20 0.38
BRAF P15056 1/20 0.38

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 0.94 EGFR (0.43) ABL1BCRCDC7EGFRRPS6KA2
SCHEMBL4996904 0.92 CDC7 (0.46) CDC7RPS6KA2CYP2C8ALDH1A1KMT2A
SCHEMBL4996999 0.91 CDC7 (0.42) ABL1BCRCDC7EGFRRPS6KA2
SCHEMBL4991418 0.88 CDC7 (0.49) CDC7RPS6KA2GRM5ALDH1A1KMT2A
SCHEMBL4993909 0.87 CDC7 (0.48) CDC7EGFRCYP2C8ALDH1A1KMT2A
SCHEMBL4999920 0.86 CDC7 (0.44) CDC7ALDH1A1HPGDKMT2APARP1
SCHEMBL4995091 0.86 CYP2C8 (0.40) ABL1BCRCDC7EGFRRPS6KA2
SCHEMBL4997509 0.86 CDC7 (0.51) CDC7RPS6KA2CYP2C8ALDH1A1KMT2A
SCHEMBL4991381 0.84 CDC7 (0.42) CDC7RPS6KA2STSALDH1A1
SCHEMBL14188466 0.83 CDC7 (0.48) CDC7EGFRRPS6KA2CYP2C8ALDH1A1

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 ABL1 563/4885BCR 3771/4885CDC7 487/4885

“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.