SCHEMBL8568083

SCHEMBL8568083

CNC(=O)c1cn(C)nc1C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.69
ATM Q13315 1/20 0.55
NAMPT P43490 1/20 0.54
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
ALPL P05186 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
BAZ2B Q9UIF8 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.41
POLB P06746 1/20 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
SCHEMBL22987577 0.85 GAA (0.59) GAAATMNAMPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29450056 0.83 GAA (0.58) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL28263781 0.83 GAA (0.58) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL2790504 0.83 GAA (0.58) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL16643752 0.80 GAA (0.55) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL26077723 0.80 GAA (0.55) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL28223840 0.80 GAA (0.55) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL21117539 0.79 GAA (0.46) GAAATMNAMPTALDH1A1ALPL
SCHEMBL7979529 0.79 GAA (0.46) GAAATMALDH1A1SMN1; SMN2RAB9A
SCHEMBL28348619 0.79 GAA (0.54) GAAATMNAMPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-3287445-B1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO LTD (CN) 2020-04-29 EP disclosed
EP-3287445-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF Qingdao Kingagroot Chemical Compounds Co., Ltd (CN) 2018-02-28 EP disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 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 (4 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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 GAA 3126/4885ATM 1396/4885NAMPT 609/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 GAA 3126/4885ATM 1396/4885NAMPT 609/4885
US-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 GAA 135/4885ATM 2751/4885NAMPT 2608/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 GAA 1416/4885ATM 3494/4885NAMPT 4751/4885

“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.