SCHEMBL2168776

SCHEMBL2168776

c1cnc(N2CCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 2/20 0.60
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 3/20 0.58
MAPT P10636 2/20 0.58
CYP2D6 P10635 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 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
Water SCHEMBL28082091 0.97 KDM4E (0.58) KDM4EALDH1A1USP2POLBLMNA
Ammonia Solution, Strong SCHEMBL28080150 0.97 KDM4E (0.58) KDM4EALDH1A1USP2POLBLMNA
Fluoride SCHEMBL28112400 0.95 KDM4E (0.56) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL18228600 0.94 KDM4E (0.60) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL3339822 0.94 KDM4E (0.60) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL28112869 0.93 KDM4E (0.55) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL2951425 0.92 KDM4E (0.58) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL1928132 0.92 KDM4E (0.58) KDM4EALDH1A1USP2POLBLMNA
SCHEMBL139049 0.92 KDM4E (0.58) KDM4EALDH1A1USP2POLBLMNA
Fluoride SCHEMBL28073285 0.90 KDM4E (0.56) KDM4EALDH1A1USP2POLBLMNA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP claimed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US claimed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP claimed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US claimed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO claimed
EP-4695239-A1 DISUBSTITUTED PYRIMIDINE COMPOUNDS FOR KETOHEXOKINASE INHIBITION Centennial Therapeutics, LLC (US) 2026-02-18 EP disclosed
EP-4547660-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AS JAK INHIBITORS Alcon Inc. (CH) 2025-05-07 EP disclosed
US-20240425496-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF ALCON INC. (CH) 2024-12-26 US disclosed
WO-2024216034-A1 DISUBSTITUTED PYRIMIDINE COMPOUNDS FOR KETOHEXOKINASE INHIBITION CENTENNIAL THERAPEUTICS, LLC (US) 2024-10-17 WO disclosed
EP-4363058-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF Aerie Pharmaceuticals, Inc. (US) 2024-05-08 EP disclosed
EP-4363058-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF Aerie Pharmaceuticals, Inc. (US) 2024-05-08 EP disclosed
WO-2023279105-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2023-01-05 WO disclosed
CN-105814043-A Triazolopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
EP-2350054-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-08-03 EP disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
EP-1056771-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-1056771-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-12-06 EP disclosed
WO-1999043699-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-09-02 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 (4 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B KDM4E 548/4885ALDH1A1 149/4885USP2 2233/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 KDM4E 1086/4885ALDH1A1 394/4885USP2 3949/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B KDM4E 548/4885ALDH1A1 149/4885USP2 2233/4885
US-20240425496-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF NME2, UACA, UCK2 KDM4E 1786/4885ALDH1A1 1657/4885USP2 1708/4885

“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.