SCHEMBL13106248

SCHEMBL13106248

Cc1nn(C)c2c(F)cc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ NMT1 P30419 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK8 P45983 1/20 0.38
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32

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 0.83 ADORA2A (0.44) ADORA2AADORA2BNMT1LMNAKDM4E
SCHEMBL13106263 0.83 ADORA2A (0.44) ADORA2AADORA2BNMT1PIM3PIM2
SCHEMBL20356426 0.82 L3MBTL1 (0.33) NMT1L3MBTL1MAPK8
SCHEMBL13106303 0.80 ADORA2A (0.41) ADORA2AADORA2BNMT1MAPK8SMN1; SMN2
SCHEMBL13106358 0.80 GAA (0.32) NMT1MAPK8
SCHEMBL13106253 0.78 NMT1 (0.49) ADORA2AADORA2BNMT1L3MBTL1MAPK8
SCHEMBL31647306 0.77 L3MBTL1 (0.35) NMT1L3MBTL1MAPK8LMNAMAPK1
SCHEMBL20356427 0.77 L3MBTL1 (0.30) L3MBTL1
SCHEMBL13106197 0.76 ADORA2A (0.44) ADORA2AADORA2BNMT1PIM3PIM2
SCHEMBL2143901 0.74 ADORA2A (0.47) ADORA2AADORA2BNMT1L3MBTL1MAPK8

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 3798/4885NMT1 1546/4885

“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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