SCHEMBL13106325

SCHEMBL13106325

Cc1nn(C)c2c(C)cc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ MAPK8 P45983 6/20 0.39
▸ MAPK9 P45984 5/20 0.39
▸ MAPK10 P53779 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34
▸ MINK1 Q8N4C8 1/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ NMT1 P30419 1/20 0.33
▸ RET P07949 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
SCHEMBL13106312 0.85 ADORA2A (0.44) ADORA2AADORA2BMAPK8MAPK9MAPK10
SCHEMBL13106303 0.81 ADORA2A (0.41) ADORA2AADORA2BMAPK8MAPK9MAPK10
SCHEMBL13106445 0.79 MAPK8 (0.42) MAPK8MAPK9MAPK10SMN1; SMN2PIM1
SCHEMBL13106319 0.77 ADORA2A (0.44) ADORA2AADORA2BPIM3PIM2
SCHEMBL16626054 0.76 ADORA2A (0.42) ADORA2AADORA2BPIM3PIM2
SCHEMBL13106267 0.73 ADORA2A (0.44) ADORA2AADORA2BMAPK8MAPK9MAPK10
SCHEMBL24402345 0.72 ADORA2A (0.42) ADORA2AADORA2BMAPK8MAPK9MAPK10
SCHEMBL13106253 0.72 NMT1 (0.49) ADORA2AADORA2BMAPK8MAPK9SMN1; SMN2
SCHEMBL13106308 0.70 ADORA2A (0.41) ADORA2AADORA2BMAPK8MAPK9NMT1
SCHEMBL13106226 0.69 ADORA2A (0.59) ADORA2AADORA2BMAPK8MAPK9MAPK10

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 3798/4885MAPK8 3107/4885

“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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