Sugi Predict

Sugi Predict / Compounds / SCHEMBL213717

SCHEMBL213717

SCHEMBL213717

NC(=O)c1[nH]cnc1C(=O)N(c1ccc(OC2CCNCC2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ CHEK2 O96017 9/20 0.42
▸ KDM1A O60341 2/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ TSSK3 Q96PN8 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ ROCK1 Q13464 1/20 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
Hydrochloric Acid SCHEMBL216265 0.99 POLB (0.44) POLBCHEK2KDM1AJAK1PDE10A
SCHEMBL215755 0.88 CHEK2 (0.39) POLBCHEK2KDM1AJAK1PDE10A
Hydrochloric Acid SCHEMBL213649 0.87 CHEK2 (0.38) POLBCHEK2KDM1AJAK1PDE10A
SCHEMBL213376 0.87 POLB (0.43) POLBCHEK2
SCHEMBL216562 0.85 POLB (0.64) POLBALDH1A1
SCHEMBL216070 0.81 POLB (0.47) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL214398 0.81 POLB (0.45) POLBCHEK2PDE10AALDH1A1CYP1A2
SCHEMBL215770 0.81 USP30 (0.38) CHEK2JAK1PDE10ACHEK1SYK
SCHEMBL213794 0.79 POLB (0.38) POLBCHEK2CHEK1SYKLRRK2
Hydrochloric Acid SCHEMBL215094 0.79 POLB (0.37) POLBCHEK2CHEK1SYKLRRK2

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 8 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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — 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 POLB 3464/4885CHEK2 412/4885KDM1A 963/4885

“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.