SCHEMBL21850871

SCHEMBL21850871

Cc1cn(-c2ncc(CN3CCNCC3)cn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 4/20 0.49
▸ SIGMAR1 Q99720 1/20 0.41
▸ CXCR4 P61073 9/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL24135551 0.87 KCNJ1 (0.45) KCNJ1MEN1KMT2AHRH3
SCHEMBL21850927 0.84 KCNJ1 (0.46) KCNJ1CXCR4HRH3
SCHEMBL21850925 0.81 SIGMAR1 (0.38) KCNJ1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL21851192 0.81 KCNJ1 (0.40) KCNJ1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL21851147 0.79 KCNJ1 (0.41) KCNJ1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL14606249 0.78 SIGMAR1 (0.52) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL21850861 0.78 KCNJ1 (0.52) KCNJ1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL21850849 0.77 SIGMAR1 (0.44) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL21850800 0.76 KCNJ1 (0.51) KCNJ1SIGMAR1CXCR4MEN1CHRM2
SCHEMBL14307263 0.74 CXCR4 (0.53) SIGMAR1CXCR4MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 — — EP disclosed
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 562/4885SIGMAR1 64/4885CXCR4 666/4885

“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.

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