SCHEMBL12840579

SCHEMBL12840579

O=C(Cc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(O)cc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C8 P10632 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK14 Q16539 2/20 0.40
DEGS1 O15121 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
AKR1B1 P15121 1/20 0.38
KCNQ2 O43526 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
DYRK1A Q13627 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL12840553 0.97 IKBKB (0.42) IKBKBHCAR2CYP2C9CYP2C8RAB9A
SCHEMBL12838675 0.92 DHODH (0.41) IKBKBRAB9ANPC1MAPK14DEGS1
SCHEMBL12840640 0.92 TOP2A (0.41) IKBKBHCAR2CYP2C9CYP2C8RAB9A
SCHEMBL12839338 0.92 MAPK14 (0.41) IKBKBRAB9ANPC1MAPK14DEGS1
SCHEMBL12839465 0.91 NLRP3 (0.43) HCAR2CYP2C9CYP2C8RAB9ANPC1
SCHEMBL12839733 0.91 NLRP3 (0.42) RAB9ANPC1AKR1B1KCNQ2ROCK2
SCHEMBL12839467 0.91 NLRP3 (0.43) IKBKBHCAR2CYP2C9CYP2C8RAB9A
SCHEMBL12839431 0.91 HCAR2 (0.39) IKBKBHCAR2CYP2C9CYP2C8RAB9A
SCHEMBL12839463 0.91 MAPK1 (0.40) IKBKBHCAR2CYP2C9CYP2C8RAB9A
SCHEMBL12840547 0.91 NLRP3 (0.46) KMT2AMEN1AKR1B1SMN1; SMN2

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP 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 IKBKB 4405/4885HCAR2 3839/4885CYP2C9 3809/4885

“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.