SCHEMBL1364633

SCHEMBL1364633

Nc1cc(-c2cccnc2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
ALK Q9UM73 1/20 0.65
CYP2A6 P11509 3/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2B6 P20813 1/20 0.64
CYP2C19 P33261 1/20 0.64
METAP2 P50579 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
AURKA O14965 1/20 0.51
TTK P33981 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
PIM1 P11309 5/20 0.50
HPGDS O60760 1/20 0.50
AXL P30530 2/20 0.49
BTK Q06187 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL29633361 1.00 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
Hydrochloric Acid SCHEMBL1493357 0.98 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL11245286 0.85 CYP1A2 (0.63) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL3078162 0.80 CYP3A4 (0.89) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL168659 0.79 POLB (0.61) CYP1A2AURKBPIM1HPGDSMKNK1
SCHEMBL12056298 0.79 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL1436058 0.79 ALK (1.00) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL3608558 0.78 CYP2A6 (1.00) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL17980230 0.77 AURKA (0.42) ALDH1A1CYP1A2CYP3A4ALKCYP2A6
SCHEMBL238785 0.77 MKNK2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570659-B2 Bicyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-03-10 US disclosed
US-20260007680-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-08 US disclosed
EP-4013758-B1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 EP disclosed
WO-2025202955-A1 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2025-10-02 WO disclosed
US-12275739-B2 Inhibitors of menin-MLL interaction BIOMEA FUSION, INC. (US) 2025-04-15 US disclosed
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2024-05-02 US disclosed
WO-2024038132-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed
US-11845753-B2 Inhibitors of menin-mll interaction BIOMEA FUSION, INC. (US) 2023-12-19 US disclosed
US-20220380372-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-01 US disclosed
EP-4013758-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-06-22 EP disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090253723-A1 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed
CN-101374810-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2009-02-25 CN disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 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 (8 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-12275739-B2 Inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4585/4885CYP1A2 4624/4885CYP3A4 4509/4885
US-20260007680-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B ALDH1A1 1444/4885CYP1A2 543/4885CYP3A4 285/4885
US-20090253723-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ALDH1A1 4453/4885CYP1A2 4565/4885CYP3A4 4582/4885
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 ALDH1A1 1232/4885CYP1A2 1261/4885CYP3A4 2371/4885
US-20220380372-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 ALDH1A1 3655/4885CYP1A2 3728/4885CYP3A4 1382/4885
US-20240140953-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4585/4885CYP1A2 4624/4885CYP3A4 4509/4885
US-12570659-B2 Bicyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 ALDH1A1 3865/4885CYP1A2 3638/4885CYP3A4 2262/4885
US-11845753-B2 Inhibitors of menin-mll interaction MLLT1, MEN1, MLLT3 ALDH1A1 4585/4885CYP1A2 4624/4885CYP3A4 4509/4885

“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.