SCHEMBL4154121

SCHEMBL4154121

CNC(=O)c1ccc2cn[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.62
DYRK1A Q13627 2/20 0.55
MAP4K4 O95819 1/20 0.55
CLK2 P49760 1/20 0.55
SRPK1 Q96SB4 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ROCK2 O75116 1/20 0.48
PIM1 P11309 1/20 0.48
GSK3B P49841 1/20 0.48
PLAU P00749 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL31738598 1.00 MAOB (0.62) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL5409154 0.87 MAOB (0.59) MAOBDYRK1AMAP4K4CLK2CLK4
SCHEMBL1608321 0.85 MAOB (0.63) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL30483273 0.84 CHEK2 (0.60)
SCHEMBL2933207 0.81 MAPT (0.68) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL30194367 0.81 MAPT (0.68) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL30483194 0.81 CHEK2 (0.49) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL347171 0.81 MAOB (0.55) MAOBDYRK1AMAP4K4CLK2SRPK1
SCHEMBL29643878 0.81 MAOB (0.55) MAOBDYRK1AMAP4K4CLK2SRPK1
Hydrochloric Acid SCHEMBL30483265 0.80 CHEK2 (0.48) MAOBDYRK1AMAP4K4CLK2SRPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20090192155-A1 Identification of Compounds Suitable for Treating Ad MERCK SHARP & DOHME LIMITED (GB) 2009-07-30 US disclosed
EP-1983979-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD Merck Sharp & Dohme Limited (GB) 2008-10-29 EP disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
EP-1851203-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-11-07 EP disclosed
WO-2007088400-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD MERCK SHARP & DOHME LIMITED (GB) 2007-08-09 WO disclosed
WO-2006086255-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-08-17 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 (8 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 MAOB 2335/4885DYRK1A 1735/4885MAP4K4 3393/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 MAOB 1275/4885DYRK1A 2314/4885MAP4K4 3946/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 MAOB 1325/4885DYRK1A 2341/4885MAP4K4 3941/4885
US-20090192155-A1 Identification of Compounds Suitable for Treating Ad PSEN2, MAPT, PSEN1 MAOB 594/4885DYRK1A 2542/4885MAP4K4 372/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 MAOB 1372/4885DYRK1A 1947/4885MAP4K4 4034/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 MAOB 4105/4885DYRK1A 2269/4885MAP4K4 2500/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 MAOB 1334/4885DYRK1A 2296/4885MAP4K4 3947/4885
US-20080004259-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B MAOB 4558/4885DYRK1A 289/4885MAP4K4 256/4885

“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.