SCHEMBL4017599

SCHEMBL4017599

O=C(Nc1noc(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.76
ADORA2A P29274 3/20 0.76
HDAC6 Q9UBN7 4/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
ADORA3 P0DMS8 4/20 0.52
F2 P00734 1/20 0.52
F12 P00748 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL16592529 0.81 PTPN1 (0.61) HDAC6HDAC1NR1H4MAPTMEN1
SCHEMBL5316476 0.78 GRM5 (0.55) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL30792747 0.77 ADORA1 (0.58) ADORA1ADORA2AHDAC6HDAC1HDAC8
SCHEMBL27084284 0.77 ADORA1 (0.58) ADORA1ADORA2AHDAC6HDAC1HDAC8
SCHEMBL31661285 0.77 ADORA1 (0.52) ADORA1ADORA2AHDAC6HDAC1HDAC8
SCHEMBL28508467 0.76 HDAC4 (0.62) ADORA1ADORA2AHDAC6HDAC1NPC1
SCHEMBL3299661 0.75 ADORA1 (0.70) ADORA1ADORA2AHDAC6HDAC1HDAC8
SCHEMBL9566583 0.75 ADORA1 (0.70) ADORA1ADORA2AADORA3F2F12
SCHEMBL31214999 0.74 MAPT (0.57) ADORA1ADORA2AHDAC1HDAC8NR1H4
SCHEMBL16592484 0.74 SMN1; SMN2 (0.71) HDAC6NR1H4MAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ADORA1 4204/4885ADORA2A 4097/4885HDAC6 415/4885

“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.