SCHEMBL8737240

SCHEMBL8737240

Cc1ccc(C(C)C)c2ncn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 3/20 0.32
POLB P06746 1/20 0.32
IKBKB O14920 3/20 0.31
CHUK O15111 3/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
IKBKE Q14164 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL6124114 0.87 IKBKB (0.33) LMNAKDM4EGAAKMT2APOLB
SCHEMBL8737277 0.86 KDM4E (0.33) LMNAKDM4EGAAKMT2ATP53
SCHEMBL8737256 0.81 IKBKB (0.36) LMNAKDM4EGAATP53POLB
SCHEMBL4402905 0.74 ADORA2A (0.39) LMNATP53POLBIKBKBCHUK
SCHEMBL12256556 0.74 IKBKB (0.37) LMNATP53POLBIKBKBCHUK
SCHEMBL12258194 0.71 LMNA (0.32) LMNA
SCHEMBL15082656 0.69 DDB1 (0.40) LMNAKDM4EGAAPOLBDPP4
SCHEMBL17898191 0.69 ADORA1 (0.42) KDM4EGAAADORA2AADORA1
SCHEMBL22349081 0.68 ALDH1A1 (0.38) LMNAKDM4EGAAKMT2APOLB
SCHEMBL13193188 0.67 CCR1 (0.37) LMNAKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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 (5 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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 652/4885KDM4E 2715/4885GAA 17/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 1968/4885KDM4E 3006/4885GAA 11/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC LMNA 3335/4885KDM4E 3035/4885GAA 226/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 676/4885KDM4E 2521/4885GAA 16/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 2080/4885KDM4E 2892/4885GAA 17/4885

“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.