SCHEMBL4994544

SCHEMBL4994544

O=C1NCCn2nc(-c3ccnc(-c4c(Cl)cccc4Cl)n3)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.50
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PARP1 P09874 6/20 0.36
GRM5 P41594 3/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL14188361 0.92 CDC7 (0.46) CDC7PIM1PIM2PARP1HTR2C
SCHEMBL14188531 0.92 CDC7 (0.46) CDC7PIM1PIM2PARP1GRM5
SCHEMBL14188354 0.92 CDC7 (0.46) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL14188488 0.92 CDC7 (0.51) CDC7PIM1PIM2PARP1GRM5
SCHEMBL14188536 0.90 CDC7 (0.43) CDC7PIM1PIM2RPS6KA3RPS6KA2
SCHEMBL4994691 0.90 CDC7 (0.43) CDC7PIM1PIM2PARP1HTR2A
SCHEMBL5002481 0.88 CDC7 (0.52) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4997173 0.88 CDC7 (0.47) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4992051 0.87 CDC7 (0.49) CDC7PIM1PIM2PARP1GRM5
SCHEMBL14188431 0.87 CDC7 (0.41) CDC7PIM1PIM2PARP1RPS6KA2

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.