SCHEMBL16702016

SCHEMBL16702016

O=C(O)Nc1cnc(Cl)cc1C(O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.34
ABL1 P00519 1/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
LPAR1 Q92633 2/20 0.32
GPR65 Q8IYL9 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
CYP2C9 P11712 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 2/20 0.31
MDM2 Q00987 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30
TYK2 P29597 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
SCHEMBL16712915 0.82 P2RX3 (0.38) IDO1
SCHEMBL18887358 0.80 GPR35 (0.36) KCNQ3KCNQ2LPAR1CYP2C9RAB9A
SCHEMBL16702303 0.79 ALOX15 (0.38) KCNQ3KCNQ2RAB9ASMN1; SMN2
SCHEMBL16702576 0.77 KCNQ3 (0.35) KCNQ3KCNQ2LPAR1CYP2C9RAB9A
SCHEMBL16702138 0.77 MAPK1 (0.36) KCNQ3KCNQ2RAB9A
SCHEMBL16702570 0.75 ALDH1A1 (0.38) KCNQ3KCNQ2SMN1; SMN2MDM2
SCHEMBL20397416 0.72 KCNQ3 (0.37) KCNQ3KCNQ2CYP2C9RAB9ASMN1; SMN2
SCHEMBL16702509 0.71 ABL1 (0.38) ABL1GPR65RAB9ASMN1; SMN2MDM2
SCHEMBL16702863 0.70 KCNQ3 (0.38) KCNQ3KCNQ2RAB9ASMN1; SMN2KCNE1
SCHEMBL1971452 0.69 GPR65 (0.43) KCNQ3KCNQ2GPR65RAB9AKCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP FFAR2 3416/4885ABL1 495/4885IDO1 2601/4885

“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.