SCHEMBL25417841

SCHEMBL25417841

Cc1cn2cc(N)ncc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.39
NOS2 P35228 4/20 0.39
PIK3CG P48736 2/20 0.36
NOS1 P29475 3/20 0.34
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 1/20 0.31
PIK3CB P42338 1/20 0.31
GRM5 P41594 1/20 0.31
APP P05067 1/20 0.30
MAP3K14 Q99558 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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 SCHEMBL25419618 0.98 NOS3 (0.38) NOS3NOS2PIK3CGNOS1BACE1
SCHEMBL7939767 0.85 DYRK1A (0.35) BACE1ALDH1A1DYRK1AGRM5APP
Trifluoroacetic Acid SCHEMBL30857507 0.84 MCHR1 (0.38) PIK3CGBACE1PIK3CBGRM5KLKB1
SCHEMBL15655042 0.76 HDAC1 (0.32) DYRK1AAPPNPC1RAB9A
SCHEMBL23071665 0.76 DYRK1A (0.31) DYRK1AAPP
SCHEMBL26768268 0.73 KDM4E (0.33) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12248520 0.73 NOS3 (0.32) NOS3NOS2NOS1
SCHEMBL10038834 0.73 NOS3 (0.32) NOS3NOS2ALDH1A1KDM4EPOLB
SCHEMBL25242866 0.73 CA12 (0.37) BACE1DYRK1ATGFBR1
SCHEMBL15718342 0.73 TGFBR1 (0.43) BACE1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562018-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE Biogen MA Inc. (US) 2025-06-04 EP disclosed
CN-119948036-A Compounds for the treatment of huntington's disease 渤健马萨诸塞州股份有限公司 2025-05-06 CN disclosed
EP-4441042-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118748995-A 5-Pyrimidine carboxamide derivatives and methods of use thereof 亚根达医疗公司 2024-10-08 CN disclosed
WO-2024026061-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2024-02-01 WO disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2022-12-29 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 (2 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-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 NOS3 4690/4885NOS2 4754/4885PIK3CG 3730/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 NOS3 4690/4885NOS2 4754/4885PIK3CG 3730/4885

“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.