Sugi Predict

Sugi Predict / Compounds / SCHEMBL8908938

SCHEMBL8908938

SCHEMBL8908938

CC(C)[C@H](Nc1ccncn1)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NLRP3 Q96P20 2/20 0.37
▸ MAPKAPK2 P49137 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34

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
SCHEMBL890246 0.84 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL890146 0.83 EPHX2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL8920731 0.79 P2RX7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL19364788 0.79 CHRNB2 (0.35) KDM4ECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13154196 0.78 HCAR3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL21743165 0.74 CYP1A2 (0.50) KDM4ECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7511795 0.73 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL7429834 0.73 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL8910369 0.72 BCAT2 (0.37) GRM5NPR3
SCHEMBL5555518 0.71 HCAR3 (0.42) IRAK4MAPKAPK2CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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 (6 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885CHRNB2 4879/4885CHRNB4 4873/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 553/4885CHRNB2 4878/4885CHRNB4 4871/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885CHRNB2 4879/4885CHRNB4 4873/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 1141/4885CHRNB2 4875/4885CHRNB4 4863/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KDM4E 571/4885CHRNB2 4874/4885CHRNB4 4854/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KDM4E 437/4885CHRNB2 4880/4885CHRNB4 4873/4885

“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.