SCHEMBL2847922

SCHEMBL2847922

COC(=O)c1ccncc1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 6/20 0.58
GAA P10253 3/20 0.58
GLA P06280 2/20 0.58
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29467363 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL25085773 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL23826138 0.85 KDM4E (0.60) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL13320901 0.81 MAPT (0.44) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL28729671 0.80 KDM4E (0.38) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL29952392 0.79 KDM4C (0.53) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL2848389 0.79 KDM4C (0.53) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL68952 0.78 KDM4E (0.70) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL29416299 0.78 KDM4E (0.70) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL1329736 0.77 KDM4E (0.64) ALDH1A1KDM4EGAAGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
EP-3316884-A1 THERAPEUTIC INHIBITORY COMPOUDS Lifesci Pharmaceuticals, Inc. (BB) 2018-05-09 EP disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 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-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885KDM4E 798/4885GAA 593/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885KDM4E 798/4885GAA 593/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885KDM4E 798/4885GAA 593/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 ALDH1A1 486/4885KDM4E 1779/4885GAA 2345/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ALDH1A1 1717/4885KDM4E 798/4885GAA 593/4885

“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.