SCHEMBL13106263

SCHEMBL13106263

Cc1cc(F)c2c(c1)c(C)nn2C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SPR P35270 2/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL13106296 0.85 ADORA2A (0.44) ADORA2AADORA2BPIM3PIM2SPR
SCHEMBL13106248 0.83 ADORA2A (0.42) ADORA2AADORA2BPIM3PIM2NMT1
SCHEMBL13106303 0.81 ADORA2A (0.41) ADORA2AADORA2BNMT1
SCHEMBL20356344 0.79 ADORA3 (0.34) —
SCHEMBL13106364 0.79 GAA (0.36) —
SCHEMBL19250513 0.78 ADORA2A (0.51) ADORA2AADORA2B
SCHEMBL13106267 0.77 ADORA2A (0.44) ADORA2AADORA2BPIM3PIM2NMT1
SCHEMBL13106197 0.77 ADORA2A (0.44) ADORA2AADORA2BPIM3PIM2SPR
SCHEMBL13106292 0.75 CHEK1 (0.51) ADORA2AADORA2B
SCHEMBL20674107 0.74 PIM3 (0.48) ADORA2AADORA2BPIM3PIM2SPR

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
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 ADORA2A 3466/4885ADORA2B 3798/4885PIM3 269/4885

“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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