SCHEMBL14707752

SCHEMBL14707752

COCCCNCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
ANPEP P15144 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL20076071 0.87 CA2 (0.34) ALDH1A1KDM4EKMT2AGAAMAPK1
SCHEMBL9407551 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL9546919 0.85
Hydrochloric Acid SCHEMBL17386606 0.83 L3MBTL1 (0.44) ALDH1A1KDM4ETSHRCYP1A2CYP2C19
SCHEMBL14894772 0.82 KDM4E (0.44) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL14712863 0.80 MAPK1 (0.38) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL18551482 0.80 KDM4E (0.31) KDM4ESCN1ASCN2ASCN3A
SCHEMBL28250364 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL13519643 0.79 KDM4E (0.46) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL6525329 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022120207-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-09 WO disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-9359358-B2 Cyclohexyl azetidine derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-06-07 US disclosed
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors INCYTE CORPORATION (US) 2013-02-21 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT ALDH1A1 236/4885KDM4E 366/4885KMT2A 275/4885
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors JAK1, JAK2, JAK3 ALDH1A1 2907/4885KDM4E 162/4885KMT2A 553/4885

“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.