SCHEMBL2073711

SCHEMBL2073711

Clc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.46
SYK P43405 2/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
TP53 P04637 1/20 0.43
TYK2 P29597 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
AIMP2 Q13155 1/20 0.42

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
SCHEMBL16036072 0.85 CYP1A2 (0.55) CYP1A2CYP2D6MAPTKMT2AKDM4E
SCHEMBL3111849 0.84 SYK (0.45) CYP1A2CYP2D6MAPTKMT2AKDM4E
SCHEMBL11929838 0.84 KMT2A (0.55) KMT2ATSHRNPC1SYKPOLB
SCHEMBL914055 0.84 MAPT (0.54) CYP1A2CYP2D6MAPTKMT2AKDM4E
SCHEMBL16094471 0.83 MAPK1 (0.57) CYP1A2CYP2D6MAPTKMT2AKDM4E
SCHEMBL2073676 0.81 SYK (0.64) KDM4EALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL11929834 0.81 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL5490793 0.80 KMO (0.53) MAPTKMT2AKDM4EALDH1A1TSHR
SCHEMBL18115283 0.79 CYP1A2 (0.51) CYP1A2CYP2D6MAPTKMT2AKDM4E
SCHEMBL1603001 0.79 NPC1 (0.44) KMT2AKDM4EALDH1A1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US disclosed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG CYP1A2 665/4885CYP2D6 1874/4885MAPT 3259/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 CYP1A2 855/4885CYP2D6 2412/4885MAPT 3832/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 CYP1A2 855/4885CYP2D6 2412/4885MAPT 3832/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG CYP1A2 665/4885CYP2D6 1874/4885MAPT 3259/4885

“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.