SCHEMBL10288043

SCHEMBL10288043

COc1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
DHODH Q02127 3/20 0.42
PARP1 P09874 1/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AXL P30530 1/20 0.37
NUDT1 P36639 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL7344628 0.82 NUDT1 (0.41) HTTMGAMGAASIMGAM2
SCHEMBL5695130 0.80 CYP2E1 (0.39) MGAMGAASIMGAM2KDM4E
SCHEMBL3963475 0.79 ALDH1A1 (0.40) HTTDHODHPARP1ALDH1A1
SCHEMBL3962137 0.78 DHODH (0.43) HTTDHODHPARP1ALDH1A1
SCHEMBL1285685 0.78 CACNA1H (0.46) HTTDHODHKDM4EDYRK1A
SCHEMBL15780565 0.77 DHODH (0.51) HTTDHODHPARP1ALDH1A1
SCHEMBL643678 0.77 DHODH (0.64) DHODHGAAKDM4EALDH1A1
SCHEMBL29893957 0.77 DHODH (0.64) DHODHGAAKDM4EALDH1A1
SCHEMBL10146528 0.76 PARP1 (0.56) HTTDHODHPARP1GAAHSD17B10
SCHEMBL20509760 0.76 PARP1 (0.66) PARP1GAAKDM4ELMNAHSD17B10

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
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 HTT 1560/4885DHODH 2233/4885PARP1 3194/4885

“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.