SCHEMBL13106306

SCHEMBL13106306

Cc1c2cc(F)cc(Cl)c2nn1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ PDE2A O00408 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ NMT1 P30419 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ FPR2 P25090 1/20 0.30
▸ PROKR1 Q8TCW9 1/20 0.30
▸ NOX4 Q9NPH5 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 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
SCHEMBL13106309 0.81 HTT (0.38) HSD11B1CHRM4NMT1L3MBTL1ALDH1A1
SCHEMBL13106314 0.81 TNKS (0.33) PDE10APDE2ACHRM4
SCHEMBL13106264 0.81 NMT1 (0.36) CHRM4NMT1L3MBTL1LMNAMAPT
SCHEMBL13106294 0.81 PDE10A (0.40) PDE10APDE2ACHRM4NMT1
SCHEMBL13106251 0.79 NMT1 (0.48) CHRM4NMT1L3MBTL1ALDH1A1LMNA
SCHEMBL13106434 0.78 PDE10A (0.37) PDE10AHTR2APDE2AHSD11B1
SCHEMBL13106302 0.75 PROKR1 (0.36) PDE10APDE2ACHRM4PTGDR2FPR2
SCHEMBL13106183 0.73 HSD11B1 (0.37) PDE10APDE2AHSD11B1CHRM4P2RX7
SCHEMBL13106308 0.71 ADORA2A (0.41) PDE10AHTR2APDE2AHSD11B1P2RX7
SCHEMBL13106238 0.70 NR4A2 (0.42) HSD11B1MAPT

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 PDE10A 2895/4885HTR2A 4128/4885PDE2A 1933/4885

“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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