SCHEMBL953957

SCHEMBL953957

Cc1nn2ccc(OCc3ccccc3)cc2c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 3/20 0.49
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.45
NSD2 O96028 1/20 0.43
DYRK1A Q13627 1/20 0.42
TSHR P16473 1/20 0.42
EPHB3 P54753 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAPK14 Q16539 1/20 0.40
PIK3CG P48736 1/20 0.40
MCHR1 Q99705 1/20 0.40
IMPDH2 P12268 1/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP1A2 P05177 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
SCHEMBL956524 0.78 ALKBH1 (0.55) MAOBDYRK1AEPHB3MEN1KMT2A
SCHEMBL957661 0.76 ALKBH1 (0.47) MAOBDYRK1AEPHB3MEN1KMT2A
SCHEMBL954095 0.76 ALKBH1 (0.42) MAOBDYRK1AEPHB3MEN1KMT2A
Hydrochloric Acid SCHEMBL958049 0.75 ALKBH1 (0.42) MAOBDYRK1AEPHB3MEN1KMT2A
SCHEMBL952858 0.74 MEN1 (0.52) MAOBEPHB3MEN1KMT2AMAPK1
SCHEMBL955983 0.71 PIK3CG (0.54) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL31487828 0.70 EPHB3 (0.54) MAOBEPHB3MEN1KMT2ANPC1
SCHEMBL28634245 0.70 EPHB3 (0.56) MAOBEPHB3MEN1KMT2ANPC1
SCHEMBL14677247 0.69 MAOB (0.74) AS3MTMAOBMAOANSD2IMPDH2
SCHEMBL22650738 0.68 EPHB3 (0.60) MAOBEPHB3MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 AS3MT 2717/4885MAOB 4389/4885MAOA 4712/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 AS3MT 4478/4885MAOB 2103/4885MAOA 3214/4885

“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.