SCHEMBL2643888

SCHEMBL2643888

CC(C)NC(=O)c1ccc(CN)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
PTGS2 P35354 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.59
KLKB1 P03952 1/20 0.57
KLK1 P06870 1/20 0.57
MLYCD O95822 1/20 0.54
ACACB O00763 1/20 0.52
PTK2 Q05397 1/20 0.48
POLB P06746 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
NAMPT P43490 1/20 0.47
NPC1 O15118 1/20 0.46

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
Hydrochloric Acid SCHEMBL6442966 0.98 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL16168336 0.87 HDAC6 (0.59) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL29043470 0.84 HDAC3 (0.56) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL28748909 0.84 CA2 (0.60) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL8590217 0.84 MLYCD (0.70) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL3363186 0.83 ALDH1A1 (0.65) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL14380335 0.83 TAS1R3 (0.67) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL506657 0.83 HDAC3 (0.54) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL25711087 0.83 HDAC3 (0.54) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL6342962 0.82 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed
US-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNITED STATES GOVERNMENT 2023-03-23 US disclosed
WO-2021163631-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2021-08-19 WO disclosed
WO-2021163631-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2021-08-19 WO disclosed
WO-2018048752-A1 LIPSOMAL ANTICANCER COMPOSITIONS IRISYS, INC. (US) 2018-03-15 WO disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
WO-2010120592-A1 COMBINATION THERAPY USING AN ANTI-EGFR AGENT(S) AND IGF-1R SPECIFIC INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-21 WO disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT CAPN2, CAPNS1, CAPN1 ALDH1A1 3467/4885LMNA 940/4885CYP1A2 3822/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 ALDH1A1 3630/4885LMNA 1021/4885CYP1A2 3243/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885LMNA 4727/4885CYP1A2 1518/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885LMNA 4724/4885CYP1A2 1602/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885LMNA 4727/4885CYP1A2 1518/4885

“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.