Sugi Predict

Sugi Predict / Compounds / SCHEMBL20064247

SCHEMBL20064247

SCHEMBL20064247

Cc1n[nH]c(NC(=O)Oc2ccccc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 3/20 0.43
▸ F2 P00734 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL21222643 0.79 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL2322209 0.74 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL29739306 0.73 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECYP1A2MAPK1
SCHEMBL6065953 0.72 F2 (0.46) ALDH1A1MAPTF2F12KDM4E
SCHEMBL6065740 0.72 F2 (0.41) ALDH1A1MAPTF2F12KDM4E
SCHEMBL8103369 0.69 GAA (0.58) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL896838 0.69 CCNA2 (0.62) ALDH1A1MAPTF2F12KDM4E
SCHEMBL29739422 0.68 POLB (0.55) ALDH1A1MAPTKDM4ECYP1A2KMT2A
SCHEMBL24452606 0.68 CCNE1 (0.42) ALDH1A1MAPTKDM4ECYP1A2MAPK1
SCHEMBL3079456 0.68 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 — — US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 — — US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 — — 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885MAPT 4848/4885F2 594/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885MAPT 4848/4885F2 594/4885

“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.