SCHEMBL8737484

SCHEMBL8737484

CCOc1nc(C)ccc1-n1cnc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RECQL P46063 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8738091 0.83 KCNH2 (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL13082237 0.74 CYP3A4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127801 0.73 KDM4E (0.47) LMNAHSD17B10NPC1RAB9AKDM4E
SCHEMBL2496223 0.70 LMNA (0.38) LMNAHSD17B10KDM4EMAPTTSHR
SCHEMBL15290433 0.70 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17707924 0.69 GRM5 (0.42) LMNAHSD17B10NPC1RAB9ARECQL
SCHEMBL6124260 0.69 TSHR (0.44) LMNAKDM4ETSHRHTTPSEN1
SCHEMBL16202004 0.68 NQO1 (0.48) LMNANPC1RAB9AKDM4EMAPT
SCHEMBL23458719 0.66 HSD17B10 (0.41) LMNAHSD17B10NPC1RAB9ARECQL
SCHEMBL12125036 0.66 APOBEC3A (0.41) LMNAHSD17B10NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 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 (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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 652/4885HSD17B10 2147/4885NPC1 479/4885

“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.