SCHEMBL29379236

SCHEMBL29379236

[2H]c1cn(-c2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.47
▸ KEAP1 Q14145 1/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ALKBH2 Q6NS38 1/20 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
SCHEMBL28632636 0.83 NOTUM (0.47) NOTUMKEAP1P2RX7L3MBTL1MAOA
SCHEMBL29378534 0.79 MAPT (0.50) NOTUMCYP3A4MAPTHSD17B10ALDH1A1
SCHEMBL29378783 0.77 HSD17B1 (0.45) NOTUMKEAP1CYP3A4HSD17B10ALDH1A1
SCHEMBL75570 0.77 NOTUM (0.63) NOTUMKEAP1CYP2C9CYP3A4
SCHEMBL29084866 0.76 NOTUM (0.61) NOTUMKEAP1CYP2C9CYP3A4
SCHEMBL30139962 0.74 NOTUM (0.47) NOTUMKEAP1P2RX7L3MBTL1MAOA
SCHEMBL29379034 0.72 MAPT (0.47) L3MBTL1GAAMAPTHTTTSHR
SCHEMBL30538064 0.72 NOTUM (0.42) NOTUMALDH1A1HPGD
SCHEMBL29378354 0.71 NOTUM (0.47) NOTUMKEAP1
SCHEMBL29379232 0.71 RXRA (0.42) NOTUML3MBTL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 — — US disclosed
WO-2025261989-A1 1,2,3-TRIAZOLE DERIVATIVES AS IL4i1 INHIBITORS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-12-26 — — WO disclosed
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 — — US disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 — — US disclosed
US-11667611-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 — — 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-11667611-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 NOTUM 4181/4885KEAP1 1752/4885P2RX7 2974/4885
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 NOTUM 4254/4885KEAP1 188/4885P2RX7 1973/4885
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 NOTUM 3393/4885KEAP1 2120/4885P2RX7 1999/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 NOTUM 3642/4885KEAP1 3737/4885P2RX7 9/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 NOTUM 3035/4885KEAP1 2896/4885P2RX7 21/4885

“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.

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