SCHEMBL3798563

SCHEMBL3798563

NCCc1ncc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 9/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
PDE10A Q9Y233 1/20 0.46
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.41
DRD4 P21917 3/20 0.40
SIGMAR1 Q99720 3/20 0.40

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
Hydrochloric Acid SCHEMBL3795323 0.98 KDM4E (0.46) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL7979421 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL3899982 0.82 PDE10A (0.52) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL7983487 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL25243301 0.78 PDE10A (0.46) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL20864246 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL24090159 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL10272042 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL12480176 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MAPTTDP1CHEK1
SCHEMBL8241371 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTTDP1CHEK1

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
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-20250059184-A1 IMIDAZOPYRIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-20 US disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 WO disclosed
WO-2023114844-A1 IMIDAZOPYRIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2023114844-A1 IMIDAZOPYRIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO 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-20250059184-A1 IMIDAZOPYRIDINE PSYCHOPLASTOGENS AND USES THEREOF GRIN2A, GAP43, GRIN2C KDM4E 2494/4885ALDH1A1 1337/4885MAPT 153/4885

“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.