SCHEMBL20168396

SCHEMBL20168396

Cc1cc(-n2cc(C=O)cn2)cnc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.41
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LCAT P04180 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL335666 0.76 KDM4E (0.33) JAK2JAK1ALDH1A1HPGD
SCHEMBL20574914 0.75 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23036925 0.74 NOTUM (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30751815 0.73 KCNJ1 (0.41) KCNJ1JAK2JAK1ALDH1A1
SCHEMBL20574979 0.73 KCNJ1 (0.42) KCNJ1
SCHEMBL20168329 0.73 KCNJ1 (0.41) KCNJ1JAK2JAK1ALDH1A1
SCHEMBL30751811 0.73 KCNJ1 (0.42) KCNJ1
SCHEMBL30444569 0.73 KCNJ1 (0.42) KCNJ1
SCHEMBL20168622 0.73 KCNJ1 (0.42) KCNJ1
SCHEMBL2450317 0.71 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 9 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
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP 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
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 85/4885NPC1 895/4885RAB9A 1099/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885NPC1 895/4885RAB9A 1099/4885

“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.