SCHEMBL4991744

SCHEMBL4991744

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.46
DHODH Q02127 1/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR1 P21453 1/20 0.43
NTSR1 P30989 1/20 0.43
RAB9A P51151 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4994570 0.94 AMY1A (0.53) AMY1ADHODHLMNASMN1; SMN2NPSR1
SCHEMBL4997131 0.92 KMT2A (0.52) AMY1ADHODHLMNASMN1; SMN2MEN1
SCHEMBL4999860 0.91 HTT (0.45) DHODHLMNASMN1; SMN2NPC1S1PR1
SCHEMBL4991409 0.90 MAPT (0.49) DHODHLMNASMN1; SMN2S1PR1MEN1
SCHEMBL4995827 0.89 LMNA (0.51) AMY1ADHODHLMNASMN1; SMN2NPC1
SCHEMBL4996641 0.88 MAPT (0.44) DHODHLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5000532 0.88 CDK4 (0.51) AMY1ADHODHLMNASMN1; SMN2MEN1
SCHEMBL5000181 0.86 LMNA (0.44) AMY1ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL4991820 0.86 MAPT (0.43) RAB9ANPSR1KMT2APOLBALDH1A1
SCHEMBL4999618 0.86 ALDH1A1 (0.50) DHODHLMNAKMT2APOLBALDH1A1

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 AMY1A 3590/4885DHODH 2517/4885LMNA 4243/4885

“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.