SCHEMBL1324201

SCHEMBL1324201

COC(=O)c1cnn2cc(OCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
P4HTM Q9NXG6 1/20 0.44
ALKBH1 Q13686 3/20 0.44
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 2/20 0.43
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 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
SCHEMBL17454404 0.89 MAOB (0.54) EPHB3SMN1; SMN2P4HTMALKBH1HTT
SCHEMBL17437917 0.88 ALKBH1 (0.53) EPHB3P4HTMALKBH1MEN1KMT2A
SCHEMBL19902366 0.86 MAPT (0.46) EPHB3RAB9ASMN1; SMN2P4HTMALKBH1
SCHEMBL17452634 0.85 ALKBH1 (0.43) EPHB3P4HTMALKBH1MAOBSRD5A2
SCHEMBL3614231 0.82 EPHB3 (0.66) EPHB3NPC1RAB9ASMN1; SMN2ALKBH1
SCHEMBL3616031 0.81 LCK (0.45) EPHB3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19128899 0.80 ROCK2 (0.41) LMNA
SCHEMBL19128897 0.80 ROCK2 (0.41) LMNA
SCHEMBL21947184 0.78 PDE2A (0.43) LMNA
SCHEMBL17437960 0.78 ROCK2 (0.51) LMNA

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-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP disclosed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 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 (2 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-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 EPHB3 3577/4885NPC1 3855/4885RAB9A 2959/4885
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 EPHB3 2772/4885NPC1 4550/4885RAB9A 1986/4885

“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.