Sugi Predict

Sugi Predict / Compounds / SCHEMBL3141663

SCHEMBL3141663

SCHEMBL3141663

COc1c(O)ncnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMO O15229 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 2/20 0.32

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
SCHEMBL288911 0.84 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2KMOKDM4E
SCHEMBL2231363 0.84 TDP1 (0.40) ALDH1A1SMN1; SMN2KMOKDM4EHSD17B10
SCHEMBL27960540 0.81 TDP1 (0.39) ALDH1A1SMN1; SMN2KMOKDM4EHSD17B10
SCHEMBL27880131 0.81 TDP1 (0.39) ALDH1A1SMN1; SMN2KMOKDM4EHSD17B10
SCHEMBL29415107 0.81 TDP1 (0.39) ALDH1A1SMN1; SMN2KMOKDM4EHSD17B10
SCHEMBL9044468 0.76 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2KMOKDM4E
SCHEMBL12261633 0.76 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2KMOKDM4E
SCHEMBL12348218 0.76 TDP1 (0.34) KMOMAPTTDP1PDE5ACYP3A4
SCHEMBL1872205 0.74 PDE5A (0.49) ALDH1A1LMNASMN1; SMN2KDM4EENPP1
SCHEMBL28998748 0.74 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KMOKDM4E

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-2010059384-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 — — WO disclosed
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 — — 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 (2 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-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR ALDH1A1 2520/4885LMNA 4294/4885SMN1; SMN2 4283/4885
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR ALDH1A1 2520/4885LMNA 4294/4885SMN1; SMN2 4283/4885

“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.