SCHEMBL1614079

SCHEMBL1614079

COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccccc4)c3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
MAT2A P31153 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
OPRK1 P41145 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL13516076 1.00 MAPT (0.51) MAPTMAPK1KDM4ESMN1; SMN2HPGD
SCHEMBL1614504 0.90 ADORA2A (0.45) MAPTKDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL13516217 0.90 GCGR (0.44) MAPTMAPK1KDM4ESMN1; SMN2HPGD
SCHEMBL13516457 0.90 GSK3B (0.47) MAPTMAPK1KDM4EHPGDRAB9A
SCHEMBL13516124 0.90 GCGR (0.44) MAPTMAPK1KDM4ESMN1; SMN2HPGD
SCHEMBL13516556 0.88 ADORA2A (0.41) MAPTKDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL19084553 0.86 MAPT (0.54) MAPTMAPK1KDM4ESMN1; SMN2RAB9A
SCHEMBL24221653 0.86 PLAT (0.43) MAPTKDM4EHPGDRAB9ANPC1
SCHEMBL13516328 0.86 TP53 (0.48) MAPTKDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL1613449 0.86 TP53 (0.48) MAPTKDM4ESMN1; SMN2HPGDRAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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 (3 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MAPT 3629/4885MAPK1 574/4885KDM4E 3115/4885
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 MAPT 1089/4885MAPK1 1567/4885KDM4E 1364/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 MAPT 3629/4885MAPK1 574/4885KDM4E 3115/4885

“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.