SCHEMBL20176838

SCHEMBL20176838

CNCc1ccc(-n2cc(C#N)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
KCNJ1 P48048 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
STAT3 P40763 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
SCHEMBL30751833 1.00 IMPDH2 (0.49) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL10190993 0.86 IMPDH2 (0.51) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL25156033 0.80 IMPDH2 (0.58) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL30344860 0.80 IMPDH2 (0.58) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL2146801 0.78 IMPDH2 (0.51) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL1078113 0.77 L3MBTL1 (0.53) IMPDH2MAPT
SCHEMBL21243676 0.77 KCNJ1 (0.52) ALDH1A1KMT2AKCNJ1STAT3
SCHEMBL28586121 0.75 IMPDH2 (0.51) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL12670685 0.73
SCHEMBL12670684 0.72 KDM4E (0.58) MAPT

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-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 IMPDH2 4296/4885ALDH1A1 2047/4885SMN1; SMN2 2146/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 IMPDH2 4296/4885ALDH1A1 2047/4885SMN1; SMN2 2146/4885

“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.