Sugi Predict

Sugi Predict / Compounds / SCHEMBL4572143

SCHEMBL4572143

SCHEMBL4572143

CCc1nc(N)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ RAD52 P43351 1/20 0.57
▸ DCPS Q96C86 1/20 0.57
▸ DHFR P00374 3/20 0.54
▸ HEXA P06865 2/20 0.54
▸ HEXB P07686 2/20 0.54
▸ APP P05067 4/20 0.54
▸ ADORA2A P29274 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47

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
SCHEMBL3792910 0.81 DHFR (0.58) NUDT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL27313299 0.79 DCPS (0.55) NUDT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL805510 0.78 POLB (0.54) NUDT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10171939 0.78 POLB (0.54) ALDH1A1HPGDHSD17B10SMN1; SMN2POLB
SCHEMBL27816217 0.78 APP (0.58) NUDT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL12533981 0.78 KMT2A (0.64) ALDH1A1HPGDHSD17B10CYP1A2SMN1; SMN2
SCHEMBL1773497 0.77 POLB (0.53) ALDH1A1HPGDHSD17B10CYP1A2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28418689 0.77 POLB (0.53) ALDH1A1HPGDHSD17B10SMN1; SMN2POLB
SCHEMBL20475930 0.77 ALDH1A1 (0.57) NUDT1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL28260793 0.77 POLB (0.53) ALDH1A1HPGDHSD17B10CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 — — US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — 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 (5 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NUDT1 869/4885ALDH1A1 3154/4885HPGD 836/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NUDT1 869/4885ALDH1A1 3154/4885HPGD 836/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NUDT1 401/4885ALDH1A1 2350/4885HPGD 319/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NUDT1 576/4885ALDH1A1 3050/4885HPGD 517/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NUDT1 2838/4885ALDH1A1 3208/4885HPGD 397/4885

“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.