SCHEMBL21945053

SCHEMBL21945053

C/N=C/c1[nH]nnc1-c1cccc(-c2ccc(F)cc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.36
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MAOB P27338 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SENP8 Q96LD8 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
SCHEMBL21945215 0.89 NMT1 (0.38) NMT1PDE3BPDE3AMAOBGRM2
SCHEMBL26070656 0.77 DHODH (0.38) MAOBMEN1MAPTALOX15NFKB1
SCHEMBL18004203 0.76 GRIN1 (0.40) NMT1PDE3BPDE3ABACE1GRM2
SCHEMBL26070235 0.75 HTR2A (0.34) —
SCHEMBL26070390 0.75 ALDH1A3 (0.44) BACE1MEN1NPC1MAPTRAB9A
SCHEMBL21945123 0.74 TRPA1 (0.44) PDE3BPDE3AMAOB
SCHEMBL21945203 0.73 PRMT6 (0.39) MAOBADORA2AADORA1
SCHEMBL21945100 0.73 IKBKB (0.36) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL21945098 0.72 PRMT6 (0.37) BACE1MAPTRAB9ASMN1; SMN2
SCHEMBL21945216 0.71 MAOB (0.39) MAOBMEN1NPC1MAPTALOX15

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NMT1 104/4885PDE3B 2428/4885PDE3A 2797/4885

“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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