SCHEMBL12839987

SCHEMBL12839987

CC(=O)Nc1ncc(-c2ccc(F)cc2)nc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44
▸ ATM Q13315 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATR Q13535 5/20 0.41
▸ PLTP P55058 1/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ MET P08581 2/20 0.40
▸ USP7 Q93009 1/20 0.40
▸ PRKDC P78527 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL12838452 0.93 AKR1B1 (0.46) ADORA3AKR1B1ATMRAB9AMEN1
SCHEMBL12838503 0.90 ATR (0.51) ADORA3ADORA2ARAB9AMEN1NPC1
SCHEMBL12839003 0.87 ATR (0.46) AKR1B1ATMATRPLTPMAPK10
SCHEMBL12840422 0.85 FYN (0.49) ADORA3ATMMEN1NPC1KMT2A
SCHEMBL12839986 0.83 PTPN1 (0.49) ADORA3ADORA2AAKR1B1ATMRAB9A
SCHEMBL12839618 0.83 KMT2A (0.51) RAB9AMEN1NPC1KMT2AMAPK14
SCHEMBL12839598 0.83 KMT2A (0.51) RAB9AMEN1NPC1KMT2AMAPK14
SCHEMBL12839988 0.83 MET (0.40) ADORA3ADORA2AAKR1B1ATMRAB9A
SCHEMBL12839616 0.81 ADORA3 (0.51) ADORA3ADORA2ARAB9AMEN1NPC1
SCHEMBL13067527 0.80 MAPK14 (0.49) ATMRAB9AMEN1NPC1KMT2A

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 — — 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 ADORA3 3943/4885ADORA2A 3596/4885AKR1B1 4663/4885

“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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