SCHEMBL4089000

SCHEMBL4089000

CN(C)C(=O)C=Cc1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
APP P05067 1/20 0.42
NFE2L2 Q16236 2/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MET P08581 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PTGS1 P23219 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 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
SCHEMBL13719066 1.00 IP6K1 (0.42) IP6K1IP6K2APPNFE2L2CYP4F2
SCHEMBL24150774 0.83 IP6K1 (0.43) IP6K1IP6K2APPNFE2L2CYP4F2
SCHEMBL26820204 0.82 IAPP (0.54) APPNFE2L2SMARCA2SMARCA4PTGS1
SCHEMBL25075381 0.82 IAPP (0.54) APPNFE2L2SMARCA2SMARCA4PTGS1
SCHEMBL2134058 0.80 KDM4E (0.53) APPNFE2L2ALOX5LMNARAB9A
SCHEMBL2134056 0.80 KDM4E (0.53) APPNFE2L2ALOX5LMNARAB9A
SCHEMBL24738883 0.78 TTR (0.58) IP6K1IP6K2APPNFE2L2SMARCA2
SCHEMBL29879436 0.78 TTR (0.58) IP6K1IP6K2APPNFE2L2SMARCA2
SCHEMBL29136998 0.78 TTR (0.58) IP6K1IP6K2APPNFE2L2SMARCA2
SCHEMBL24150009 0.76 JUN (0.62) IP6K1IP6K2NFE2L2CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050245517-A1 2-pyridinyl[7-(substituted-pyridin-4-yl) pyrazolo[1,5-a]pyrimidin-3-yl]methanones SKOLNICK PHIL 2005-11-03 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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 (3 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IP6K1 373/4885IP6K2 378/4885APP 2668/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IP6K1 312/4885IP6K2 276/4885APP 3084/4885
US-20050245517-A1 2-pyridinyl[7-(substituted-pyridin-4-yl) pyrazolo[1,5-a]pyrimidin-3-yl]methanones HTR1A, HTR2B, HTR3B IP6K1 2434/4885IP6K2 2274/4885APP 247/4885

“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.