SCHEMBL20168136

SCHEMBL20168136

Cc1cn(-c2ccc(CO)cn2)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.46
KCNJ1 P48048 1/20 0.43
BRD4 O60885 1/20 0.40
NOTUM Q6P988 3/20 0.37
SMO Q99835 1/20 0.37
LRRK2 Q5S007 1/20 0.37
VHL P40337 1/20 0.35
EGLN1 Q9GZT9 4/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 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
SCHEMBL30751809 1.00 EGLN2 (0.46) EGLN2KCNJ1BRD4NOTUMSMO
SCHEMBL4752143 0.80 EGLN2 (0.76) EGLN2KCNJ1BRD4VHLEGLN1
SCHEMBL23999584 0.80 LRRK2 (0.47) EGLN2KCNJ1BRD4NOTUMLRRK2
SCHEMBL25043769 0.78 NOTUM (0.56) BRD4NOTUMVHL
SCHEMBL16547511 0.77 EGLN1 (0.44) EGLN2EGLN1
SCHEMBL20575122 0.77 EGLN2 (0.41) EGLN2BRD4NOTUMSMOVHL
SCHEMBL25045462 0.77 NOTUM (0.40) EGLN2KCNJ1BRD4NOTUMLRRK2
SCHEMBL13430089 0.77 BRD4 (0.39) EGLN2KCNJ1BRD4NOTUMLRRK2
SCHEMBL29972701 0.77 BRD4 (0.39) EGLN2KCNJ1BRD4NOTUMLRRK2
SCHEMBL24135300 0.76 BRD4 (0.40) EGLN2KCNJ1BRD4NOTUMLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
CN-110139862-A It can be used as the bicyclic heterocycles derivative of ROMK channel inhibitor being substituted 百时美施贵宝公司 2019-08-16 CN disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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 (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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 EGLN2 4619/4885KCNJ1 85/4885BRD4 1414/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 EGLN2 4619/4885KCNJ1 85/4885BRD4 1414/4885

“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.