SCHEMBL17035972

SCHEMBL17035972

[2H]c1cnc2ccc(C=O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP2A6 P11509 4/20 0.37
POLB P06746 2/20 0.36
PIK3CD O00329 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
CLK1 P49759 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL31175293 0.86 CYP2A6 (0.37) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL496860 0.81 NPC1 (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL29953906 0.81 NPC1 (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL29984850 0.81 NPC1 (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL27765162 0.80 NPC1 (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8528387 0.77 NPC1 (0.55) RAB9ANPC1MAPTMEN1KMT2A
Quinoline SCHEMBL28319703 0.77 ALDH1A1 (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL29985017 0.73 RAB9A (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL97820 0.72 RAB9A (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16132945 0.72 KDM4E (0.66) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20160213677-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-07-28 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 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 (2 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-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 RAB9A 1963/4885NPC1 615/4885MAPT 1537/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 RAB9A 1963/4885NPC1 615/4885MAPT 1537/4885

“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.