Sugi Predict

Sugi Predict / Compounds / SCHEMBL237338

SCHEMBL237338

SCHEMBL237338

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(NC(N)=O)cc4)nc3n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.48
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CLK1 P49759 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AKT1 P31749 9/20 0.38
▸ AKT2 P31751 9/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ DYRK1B Q9Y463 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
SCHEMBL238314 0.84 CYP2C9 (0.44) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL235451 0.84 NPC1 (0.46) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL236154 0.83 ALDH1A1 (0.44) KDRMAPTKDM4EKMT2AHPGD
SCHEMBL16986829 0.82 KDR (0.40) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL238251 0.82 AKT1 (0.47) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL235955 0.81 AURKA (0.41) KDRMEN1KMT2ANPC1HPGD
SCHEMBL234236 0.81 NPC1 (0.41) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL239466 0.80 NPC1 (0.41) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL18797689 0.80 NPC1 (0.41) KDRMAPTKDM4EMEN1KMT2A
SCHEMBL237586 0.80 AKT1 (0.56) KMT2AAKT1AKT2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 — — EP claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 — — US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 — — US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 — — EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 — — EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 — — US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 — — US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 — — US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 — — 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 (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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 KDR 2067/4885MAPT 4662/4885KDM4E 2166/4885

“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.