SCHEMBL20176806

SCHEMBL20176806

COc1cc(-n2cc(C=O)cn2)nc(C)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.31
MTOR P42345 1/20 0.31
TSHR P16473 1/20 0.31
KCNH2 Q12809 1/20 0.30
RECQL P46063 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL30751856 1.00 KCNJ1 (0.45) KCNJ1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20168106 0.85 KCNJ1 (0.42) KCNJ1KDM4EALDH1A1MAPK1RECQL
SCHEMBL30751829 0.85 KCNJ1 (0.42) KCNJ1KDM4EALDH1A1MAPK1RECQL
SCHEMBL30751837 0.81 RECQL (0.47) KCNJ1ALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL20168150 0.81 RECQL (0.47) KCNJ1ALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL30445137 0.80 KCNJ1 (0.43) KCNJ1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20574896 0.80 KCNJ1 (0.43) KCNJ1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20574272 0.77 KCNJ1 (0.42) KCNJ1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL30445102 0.77 KCNJ1 (0.42) KCNJ1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20168541 0.77 KCNJ1 (0.39) KCNJ1KDM4EMAPK1

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 7 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
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US 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

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 KCNJ1 85/4885KDM4E 3724/4885ALDH1A1 2047/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885KDM4E 3724/4885ALDH1A1 2047/4885

“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.