Sugi Predict

Sugi Predict / Compounds / SCHEMBL214152

SCHEMBL214152

SCHEMBL214152

Cc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccc(OCC(=O)N(C)C)cc3[nH]2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAOB P27338 1/20 0.35
▸ ATP4A P20648 1/20 0.33
▸ ATP4B P51164 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ CHEK2 O96017 5/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TP53 P04637 2/20 0.32

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
SCHEMBL216235 0.89 KDM4E (0.38) ALDH1A1NPC1RAB9AMAOBATP4A
SCHEMBL214219 0.88 ALDH1A1 (0.40) ALDH1A1CHEK2P2RY14KDM4EHPGD
SCHEMBL215289 0.85 ALK (0.34) MAOBPDE3BPDE3AP2RY12P2RY14
SCHEMBL217227 0.82 POLB (0.37) ALDH1A1NPC1RAB9AATP4AATP4B
SCHEMBL213848 0.79 KMT2A (0.43) ALDH1A1NPC1RAB9APDE3BPDE3A
SCHEMBL215550 0.79 MAP2 (0.34) KDM4EKMT2AMEN1TP53MAPT
SCHEMBL213394 0.78 POLB (0.48) ALDH1A1NPC1RAB9AATP4AATP4B
SCHEMBL216492 0.76 POLB (0.37) ALDH1A1NPC1RAB9AATP4AATP4B
SCHEMBL214670 0.75 POLB (0.36) MAOBCHEK2KMT2A
SCHEMBL216141 0.74 CHEK2 (0.41) CHEK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885NPC1 3307/4885RAB9A 2213/4885

“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.