SCHEMBL4996380

SCHEMBL4996380

CC(=O)Nc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ROCK2 O75116 2/20 0.36
PRKCA P17252 1/20 0.36
GRK2 P25098 1/20 0.36
RPS6KA3 P51812 2/20 0.35
RPS6KA2 Q15349 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
SMO Q99835 2/20 0.34
PIK3C3 Q8NEB9 2/20 0.34

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
SCHEMBL5002531 0.93 CDC7 (0.44) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4994575 0.87 CDC7 (0.44) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4996822 0.86 CDC7 (0.43) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL5002412 0.85 MEN1 (0.58) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4991509 0.85 CDC7 (0.52) CDC7KMT2AMEN1RAB9APIM1
SCHEMBL4986718 0.84 CTSS (0.43) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL14188711 0.84 CDC7 (0.49) CDC7PIM1PIM2PDE3BPDE3A
SCHEMBL14188370 0.83 CDC7 (0.50) CDC7KMT2AMEN1RAB9APIM1
SCHEMBL4996328 0.83 FYN (0.46) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL5000603 0.82 CDC7 (0.40) CDC7KMT2AKDM4EMEN1PRNP

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 487/4885KMT2A 1490/4885KDM4E 2647/4885

“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.