SCHEMBL21851187

SCHEMBL21851187

N#Cc1cn(-c2ncc(CN3CCNCC3)cn2)nc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 4/20 0.42
▸ KDR P35968 1/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CXCR4 P61073 6/20 0.33
▸ ABCC1 P33527 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ CXCL12 P48061 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL21851188 0.84 KCNJ1 (0.40) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL21850808 0.83 KCNJ1 (0.55) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL21850946 0.81 KCNJ1 (0.56) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL21850916 0.80 KCNJ1 (0.43) KCNJ1KDRNSD2SIGMAR1CHRM3
SCHEMBL21850933 0.80 KCNJ1 (0.45) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL21850936 0.76 KCNJ1 (0.41) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL21851189 0.74 KDR (0.39) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL24135334 0.73 KDR (0.40) KCNJ1KDRNSD2SIGMAR1CXCR4
SCHEMBL24135367 0.72 RET (0.40) KCNJ1
SCHEMBL24135483 0.71 KCNJ1 (0.38) KCNJ1KDRNSD2

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 562/4885KDR 975/4885NSD2 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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