SCHEMBL26318052

SCHEMBL26318052

CN(Cc1ccccc1)Cc1cc(Nc2ccc3ccccc3c2)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
TNF P01375 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20339001 0.89 ROCK1 (0.46) ROCK2ROCK1
SCHEMBL29621702 0.89 ROCK1 (0.46) ROCK2ROCK1
SCHEMBL29621886 0.89 ROCK1 (0.42) DHFRCYP1A2CYP2D6NPC1JAK2
SCHEMBL20340268 0.89 ROCK1 (0.42) DHFRCYP1A2CYP2D6NPC1JAK2
SCHEMBL20339039 0.87 CYP1A2 (0.49) DHFRCYP1A2CYP2D6NPC1MAPT
SCHEMBL21530423 0.86 RAB9A (0.54) DHFRACHECYP1A2CYP2D6NPC1
SCHEMBL24019171 0.86 AGPAT2 (0.54) CYP1A2CYP2D6NPC1MAPTMAPK1
SCHEMBL26317481 0.86 CYP1A2 (0.45) ACHECYP1A2CYP2D6NPC1MAPT
SCHEMBL29621980 0.86 AGPAT2 (0.54) CYP1A2CYP2D6NPC1MAPTMAPK1
SCHEMBL21530477 0.85 CYP1A2 (0.47) DHFRCYP1A2CYP2D6NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 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-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA DHFR 2908/4885ACHE 429/4885CYP1A2 815/4885

“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.