SCHEMBL2192979

SCHEMBL2192979

CC1(C)OB(c2cccc(N3CCCOCC3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
LMNA P02545 1/20 0.41
AGXT P21549 1/20 0.40
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
LGMN Q99538 2/20 0.38
PLOD2 O00469 2/20 0.36
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
CYP3A4 P08684 2/20 0.36
AKR1C3 P42330 2/20 0.36
PDK2 Q15119 1/20 0.36
DHFR P00374 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL856181 0.95 LMNA (0.46) KMOLMNAAGXTLPLLIPG
SCHEMBL29790026 0.95 LMNA (0.46) KMOLMNAAGXTLPLLIPG
SCHEMBL1701553 0.89 LPL (0.44) AGXTLPLLIPGMEN1KMT2A
SCHEMBL1726528 0.89 LPL (0.44) LMNAAGXTLPLLIPGMEN1
SCHEMBL2192867 0.88 LPL (0.43) LMNAAGXTLPLLIPGMEN1
SCHEMBL3762658 0.88 LPL (0.43) LMNAAGXTLPLLIPGMEN1
SCHEMBL16611249 0.85 LPL (0.42) LMNALPLLIPGLGMNMEN1
SCHEMBL28982037 0.83 KMO (0.37) KMOLMNAAGXTLPLLIPG
SCHEMBL14322509 0.83 AOC3 (0.44) CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL2940900 0.81 ADRA2C (0.51) AGXTLPLLIPGPLOD2PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 KMO 2065/4885LMNA 2752/4885AGXT 3509/4885

“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.