SCHEMBL21850946

SCHEMBL21850946

CCc1nn(-c2ncc(CN3CCNCC3)cn2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 5/20 0.56
▸ GPR4 P46093 2/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ RET P07949 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CXCR4 P61073 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL21850808 0.86 KCNJ1 (0.55) KCNJ1NSD2KDRRETSIGMAR1
SCHEMBL21850904 0.86 KCNJ1 (0.46) KCNJ1GPR4NSD2RETPARP1
SCHEMBL21850916 0.83 KCNJ1 (0.43) KCNJ1NSD2KDRRETSIGMAR1
SCHEMBL21850933 0.81 KCNJ1 (0.45) KCNJ1NSD2KDRRETPARP1
SCHEMBL21851187 0.81 KCNJ1 (0.42) KCNJ1NSD2KDRSIGMAR1CXCR4
SCHEMBL21850936 0.79 KCNJ1 (0.41) KCNJ1NSD2KDRSIGMAR1CXCR4
SCHEMBL21851188 0.78 KCNJ1 (0.40) KCNJ1NSD2KDRRETSIGMAR1
SCHEMBL12842019 0.78 KDR (0.42) NSD2KDRPARP1SIGMAR1CXCR4
SCHEMBL24135334 0.76 KDR (0.40) KCNJ1NSD2KDRSIGMAR1CXCR4
SCHEMBL21851189 0.75 KDR (0.39) KCNJ1NSD2KDRSIGMAR1CXCR4

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-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 — — 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 562/4885GPR4 688/4885NSD2 1360/4885

“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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