SCHEMBL4995091

SCHEMBL4995091

COc1cccc(C(=O)c2ccccc2-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CDC7 O00311 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
GPR6 P46095 1/20 0.38
EGFR P00533 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RPS6KA2 Q15349 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 2/20 0.36
CNR2 P34972 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL4991821 0.91 CYP11B1 (0.41) PIM1PIM2CDC7RPS6KA2ALDH1A1
SCHEMBL4993809 0.88 CDC7 (0.45) CYP2C8PIM1PIM2CDC7GRM5
SCHEMBL4995051 0.87 CDC7 (0.40) PIM1PIM2CDC7EGFRRPS6KA2
SCHEMBL5002670 0.87 EGFR (0.43) CDC7ABL1BCRGPR6EGFR
SCHEMBL4997271 0.87 CDC7 (0.40) PIM1PIM2CDC7GRM5ALDH1A1
SCHEMBL4994552 0.86 ABL1 (0.45) CYP2C8CDC7ABL1BCRGPR6
SCHEMBL4993289 0.85 CDC7 (0.43) PIM1PIM2CDC7GRM5RPS6KA2
SCHEMBL4999891 0.83 CDC7 (0.42) PIM1PIM2CDC7LMNARPS6KA2
SCHEMBL4990948 0.83 SMN1; SMN2 (0.42) PIM1PIM2CDC7EGFRLMNA
SCHEMBL4997416 0.83 CDC7 (0.41) PIM1PIM2CDC7ABL1BCR

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 CYP2C8 2271/4885PIM1 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.