SCHEMBL12686755

SCHEMBL12686755

N#Cc1ccc(C2(F)CCNCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.39
FASN P49327 14/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRD1 P41143 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL12489351 0.88 FASN (0.39) MAPKAPK2FASN
SCHEMBL13650611 0.81 MAPKAPK2 (0.39) MAPKAPK2FASNUSP2KDM4EALDH1A1
SCHEMBL13470632 0.80 FASN (0.45) FASNKDM4EALDH1A1L3MBTL1
SCHEMBL26081076 0.77 USP2 (0.37) MAPKAPK2USP2CYP2D6TSHRSMN1; SMN2
SCHEMBL12489188 0.76 FASN (0.51) FASN
SCHEMBL5474907 0.74 MAPKAPK2 (0.51) MAPKAPK2FASNUSP2ALDH1A1OPRD1
Hydrochloric Acid SCHEMBL12489013 0.73 MAPKAPK2 (0.50) MAPKAPK2FASNUSP2ALDH1A1OPRD1
SCHEMBL14782795 0.72 LRRK2 (0.41) USP2KDM4EALDH1A1L3MBTL1
SCHEMBL14790128 0.71 USP2 (0.35) MAPKAPK2USP2KDM4EALDH1A1L3MBTL1
SCHEMBL19416975 0.71 HTT (0.35) MAPKAPK2USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 US disclosed
US-11034690-B2 Heterocyclic modulators of lipid synthesis Saginiet Biosciences Inc. (US) 2021-06-15 US disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 EP disclosed
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-10-10 US disclosed
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-09-05 US disclosed
US-9809591-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2017-11-07 US disclosed
EP-3190108-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2017-07-12 EP disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 US disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 US disclosed
EP-2683244-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES INC (US) 2017-02-01 EP disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 US disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 US disclosed
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-10-30 US disclosed
US-8871790-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2014-10-28 US disclosed
US-8871790-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2014-10-28 US disclosed
US-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis 3-V BIOSCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis 3-V BIOSCIENCES, INC. (US) 2012-10-18 US disclosed
WO-2012122391-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2012-09-13 WO 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 (8 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-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis FASN, FADS1, FADS2 MAPKAPK2 1403/4885FASN 1/4885USP2 2239/4885
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 MAPKAPK2 1403/4885FASN 1/4885USP2 2239/4885
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD MAPKAPK2 1189/4885FASN 1/4885USP2 2383/4885
US-11034690-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD MAPKAPK2 1189/4885FASN 1/4885USP2 2383/4885
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD MAPKAPK2 1189/4885FASN 1/4885USP2 2383/4885
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD MAPKAPK2 1166/4885FASN 1/4885USP2 2220/4885
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD MAPKAPK2 1189/4885FASN 1/4885USP2 2383/4885
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 MAPKAPK2 1403/4885FASN 1/4885USP2 2239/4885

“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.