SCHEMBL1128873

SCHEMBL1128873

CC(C)CCn1cc(B(O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.41
KDM5B Q9UGL1 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CTSD P07339 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
ACHE P22303 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRPS1 P60891 1/20 0.31
RPS6KA2 Q15349 1/20 0.30

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
SCHEMBL672167 0.82 ACHE (0.49) NAMPTKDM5BPRMT5WDR77CTSD
SCHEMBL12419623 0.82 NAMPT (0.51) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL671710 0.80 L3MBTL1 (0.51) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL2559356 0.80 L3MBTL1 (0.33) L3MBTL1
SCHEMBL2551385 0.78 KIT (0.37) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL4212327 0.77 NAMPT (0.34) NAMPTKDM5BPRMT5WDR77
SCHEMBL23227826 0.77 L3MBTL1 (0.41) CTSDBACE1BACE2L3MBTL1ALDH1A1
SCHEMBL25389216 0.77 ACHE (0.37) ACHE
SCHEMBL16100862 0.77 NAMPT (0.44) NAMPTKDM5BPRMT5WDR77CTSD
SCHEMBL23227824 0.77 MAPT (0.33) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-15 US disclosed
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2022-07-21 US disclosed
EP-4019519-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-06-29 EP disclosed
EP-3378862-B1 DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS GALAPAGOS NV (BE) 2022-03-16 EP disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2022-01-11 US disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
CN-101417999-A Piperazines derivates, preparation method thereof and application thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-29 CN disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC 2008-10-16 US disclosed
WO-2008109700-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 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 (7 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD NAMPT 1944/4885KDM5B 4740/4885PRMT5 4017/4885
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 NAMPT 3213/4885KDM5B 4228/4885PRMT5 1997/4885
US-20220289751-A1 COMPOUND HAVING KDM5 INHIBITORY ACTIVITY AND PHARMACEUTICAL USE THEREOF KDM5A, KDM1B, KDM5D NAMPT 2739/4885KDM5B 4/4885PRMT5 42/4885
US-11220499-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 NAMPT 3023/4885KDM5B 4179/4885PRMT5 1901/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET NAMPT 4110/4885KDM5B 670/4885PRMT5 125/4885
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS NAMPT 553/4885KDM5B 2775/4885PRMT5 959/4885
US-20080255201-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARA, PPARD NAMPT 330/4885KDM5B 4262/4885PRMT5 2799/4885

“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.