SCHEMBL882664

SCHEMBL882664

CC(=O)c1ccnc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SORT1 Q99523 4/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM5A P29375 1/20 0.36
JMJD1C Q15652 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GRM4 Q14833 1/20 0.35
GRM5 P41594 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RIPK1 Q13546 1/20 0.33
ALOX15 P16050 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1578942 0.83 KDM4E (0.53) ALDH1A1SORT1KDM4EKDM5AJMJD1C
Ammonia Solution, Strong SCHEMBL27766041 0.81 KDM4E (0.52) ALDH1A1SORT1KDM4EKDM5AJMJD1C
SCHEMBL27801110 0.81 KDM4E (0.52) ALDH1A1SORT1KDM4EKDM5AJMJD1C
SCHEMBL14192611 0.81 SORT1 (0.39) ALDH1A1SORT1KDM4EKDM5AJMJD1C
SCHEMBL2829062 0.81 ADORA3 (0.41) SORT1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL15188016 0.80 CYP1A2 (0.38) ALDH1A1SORT1KDM4EKDM5AJMJD1C
Hydrochloric Acid SCHEMBL14759408 0.79 ADORA3 (0.39) SORT1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL1256533 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL3590598 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL3590602 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
US-4232156-A FLAVORS FIRMENICH, S.A. (CH) 1980-11-04 US claimed
US-4166869-A Use of certain acyl-pyrimidines as flavouring agents FIRMENICH, S.A. (CH) 1979-09-04 US claimed
EP-4146220-B1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC (US) 2026-02-18 EP disclosed
EP-4672982-A1 PROCESS FOR PREPARING A FLAVOR COMPOSITION Firmenich SA (CH) 2026-01-07 EP disclosed
US-20250388574-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC (US) 2025-12-25 US disclosed
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
US-12319691-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2025-06-03 US disclosed
US-12252489-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2025-03-18 US disclosed
CN-119111679-A Gel candy capable of improving anoxia tolerance and preparation method thereof 西北农林科技大学 2024-12-13 CN disclosed
WO-2024179905-A1 PROCESS FOR PREPARING A FLAVOR COMPOSITION FIRMENICH SA (CH) 2024-09-06 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN disclosed
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 US disclosed
US-4232156-A FLAVORS FIRMENICH, S.A. (CH) 1980-11-04 US disclosed
US-4166869-A Use of certain acyl-pyrimidines as flavouring agents FIRMENICH, S.A. (CH) 1979-09-04 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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO ALDH1A1 352/4885SORT1 4454/4885KDM4E 200/4885
US-12252489-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ALDH1A1 2557/4885SORT1 386/4885KDM4E 3946/4885
US-12319691-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ALDH1A1 2654/4885SORT1 420/4885KDM4E 3817/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 ALDH1A1 185/4885SORT1 3671/4885KDM4E 3990/4885
US-20250388574-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FCER2, HAVCR2 ALDH1A1 2652/4885SORT1 702/4885KDM4E 4273/4885

“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.