SCHEMBL5000426

SCHEMBL5000426

COc1ccc(Br)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 2/20 0.34
LRRK2 Q5S007 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
GFER P55789 1/20 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
SCHEMBL14188647 0.90 CDC7 (0.42) CDC7PIM1PIM2TSHRKMT2A
SCHEMBL4999913 0.90 CDC7 (0.42) CDC7PIM1PIM2LRRK2
SCHEMBL4996539 0.89 CDC7 (0.45) CDC7PIM1PIM2KMT2AGAA
SCHEMBL14188389 0.89 CDC7 (0.45) CDC7PIM1PIM2TSHRMEN1
SCHEMBL14188680 0.89 CDC7 (0.41) CDC7PIM1PIM2ALDH1A1MAPT
SCHEMBL14188507 0.88 CDC7 (0.44) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL14188663 0.88 CDC7 (0.44) CDC7PIM1PIM2ALDH1A1USP2
SCHEMBL14188681 0.88 CDC7 (0.40) CDC7PIM1PIM2NPC1RAB9A
SCHEMBL14188392 0.88 CDC7 (0.47) CDC7PIM1PIM2MAPK1LRRK2
SCHEMBL4996084 0.87 CDC7 (0.42) CDC7PIM1PIM2MAPK1HTT

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.