SCHEMBL23582563

SCHEMBL23582563

CCOC(=O)[C@@H]1CCCN(c2ccnc(N)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.58
ALDH1A1 P00352 7/20 0.53
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
BTK Q06187 1/20 0.48
CASP1 P29466 1/20 0.48
MMP13 P45452 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL23582477 1.00 SHMT2 (0.58) SHMT2ALDH1A1JAK2JAK3SMN1; SMN2
SCHEMBL29913989 1.00 SHMT2 (0.58) SHMT2ALDH1A1JAK2JAK3SMN1; SMN2
SCHEMBL22616993 0.87 BTK (0.50) SHMT2LMNABTK
SCHEMBL29438234 0.87 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL2635948 0.87 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL12185358 0.87 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL31357649 0.86 HRH3 (0.56) SHMT2ALDH1A1LMNAGAANPSR1
SCHEMBL23582102 0.86 HRH3 (0.56) SHMT2ALDH1A1LMNAGAANPSR1
SCHEMBL15037240 0.86 SHMT2 (0.53) SHMT2ALDH1A1JAK2JAK3SMN1; SMN2
SCHEMBL1089733 0.83 CXCR4 (0.56) SHMT2ALDH1A1JAK2JAK3SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEM, LTD. (KR) 2023-10-12 US disclosed
EP-4206193-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF Lg Chem, Ltd. (KR) 2023-07-05 EP disclosed
CN-114846013-A Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-02 CN disclosed
WO-2021133035-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF 주식회사 엘지화학 2021-07-01 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 (1 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-20230322706-A1 NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF DGAT2, DGAT1, MOGAT2 SHMT2 788/4885ALDH1A1 600/4885JAK2 3708/4885

“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.