SCHEMBL21850837

SCHEMBL21850837

COc1cc(-n2cc(CCN3CCNCC3)cn2)ncc1C#N

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.51
SRC P12931 6/20 0.41
PARP1 P09874 1/20 0.39
TNK2 Q07912 1/20 0.39
TNK1 Q13470 1/20 0.39
RET P07949 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL30445347 0.81 KCNJ1 (0.49) KCNJ1
SCHEMBL20168538 0.81 KCNJ1 (0.49) KCNJ1
SCHEMBL13075902 0.80 SRC (0.48) KCNJ1SRCPARP1TNK2TNK1
SCHEMBL30444731 0.76 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL20575376 0.76 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL22606728 0.76 KCNJ1 (0.57) KCNJ1
SCHEMBL23560759 0.75 CHRNB2 (0.47) KCNJ1PARP1TNK2TNK1RET
SCHEMBL2730838 0.75 KCNJ1 (0.60) KCNJ1KCNH2
SCHEMBL24135371 0.74 KCNJ1 (0.45) KCNJ1
SCHEMBL24135400 0.71 KCNJ1 (0.46) KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 US 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-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885SRC 1665/4885PARP1 2015/4885

“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.