SCHEMBL30007438

SCHEMBL30007438

Cn1ncc2cccc(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP3A4 P08684 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRMT5 O14744 1/20 0.37
HTR3A P46098 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL3364159 1.00 ADORA3 (0.38) ADORA3ADORA2AADORA2BADORA1CYP3A4
SCHEMBL30848112 0.87 CYP3A4 (0.34) ADORA3ADORA2AADORA2BADORA1CYP3A4
SCHEMBL31668718 0.78 ADRA2A (0.45) CYP3A4CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL8030619 0.78 ADRA2A (0.45) CYP3A4CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL4949270 0.78 CYP3A4 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4955235 0.77 MCHR1 (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL25072709 0.76 ALDH1A1 (0.36) ADORA3ADORA2AADORA2BADORA1CYP3A4
SCHEMBL20987528 0.76 ALDH1A1 (0.36) ADORA3ADORA2AADORA2BADORA1CYP3A4
SCHEMBL2383365 0.76 NOS1 (0.37) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL19152608 0.76 PRMT5 (0.49) CYP1A2PRMT5ALDH1A1HPGDHSD17B10

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-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO claimed
EP-4577536-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY Hotspot Therapeutics, Inc. (US) 2025-07-02 EP disclosed
US-20250179028-A1 ACRYLAMIDE COMPOUNDS NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
WO-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 WO disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 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-20250179028-A1 ACRYLAMIDE COMPOUNDS ACR, CCNI, FANCI ADORA3 2010/4885ADORA2A 1285/4885ADORA2B 814/4885

“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.