SCHEMBL3106845

SCHEMBL3106845

Cc1oc(-c2cnn(C)c2)cc1C(O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.46
TDO2 P48775 5/20 0.39
BRD4 O60885 2/20 0.37
MAPK1 P28482 1/20 0.37
AXL P30530 4/20 0.37
CREBBP Q92793 2/20 0.37
TYRO3 Q06418 1/20 0.37
KAT5 Q92993 1/20 0.35
MERTK Q12866 1/20 0.35
MMP13 P45452 2/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.33
STAT3 P40763 1/20 0.33
GSK3B P49841 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3105333 0.85 AXL (0.37) IDO1MAPK1AXLCREBBPTYRO3
SCHEMBL3095257 0.79 BRD4 (0.38) IDO1TDO2BRD4
SCHEMBL3109648 0.79 BRD4 (0.39) IDO1TDO2BRD4
SCHEMBL3113043 0.78 ALDH1A1 (0.39) IDO1TDO2BRD4
SCHEMBL3090921 0.78 BRD4 (0.37) IDO1TDO2BRD4GSK3B
SCHEMBL3101663 0.78 AAK1 (0.35) BRD4MAP3K7TAB1JAK2JAK1
SCHEMBL3089943 0.77 IDO1 (0.45) IDO1TDO2BRD4MMP13KDR
SCHEMBL3095541 0.77 ALDH1A1 (0.40) IDO1TDO2BRD4
SCHEMBL3104373 0.76 BRD4 (0.36) IDO1TDO2BRD4
SCHEMBL3106796 0.76 NPC1 (0.40) IDO1TDO2BRD4MAPK1MMP13

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR IDO1 1206/4885TDO2 1785/4885BRD4 90/4885

“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.