Sugi Predict

Sugi Predict / Compounds / SCHEMBL890246

SCHEMBL890246

SCHEMBL890246

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MKNK1 Q9BUB5 3/20 0.37
▸ HCAR3 P49019 2/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CCNA2 P20248 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CCNA1 P78396 3/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35

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
SCHEMBL890146 0.89 EPHX2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL13154196 0.86 HCAR3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL19364788 0.84 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL8908938 0.84 KDM4E (0.39) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL8920731 0.84 P2RX7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL7511795 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL7429834 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL5555518 0.76 HCAR3 (0.42) MKNK1HCAR3MKNK2CCNA2CDK2
SCHEMBL12985452 0.76 CYP2C19 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL30797267 0.74 HCAR3 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8426458-B2 Hepatitis C Virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 — — US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 — — US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 — — US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 — — US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
US-20100221215-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 (10 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRNB2 4878/4885CHRNB4 4871/4885CHRNA3 4783/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CHRNB2 4880/4885CHRNB4 4868/4885CHRNA3 4685/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRNB2 4879/4885CHRNB4 4873/4885CHRNA3 4773/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRNB2 4878/4885CHRNB4 4871/4885CHRNA3 4783/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CHRNB2 4874/4885CHRNB4 4854/4885CHRNA3 4769/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CHRNB2 4880/4885CHRNB4 4873/4885CHRNA3 4775/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRNB2 4875/4885CHRNB4 4863/4885CHRNA3 4664/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CHRNB2 4874/4885CHRNB4 4854/4885CHRNA3 4769/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CHRNB2 4881/4885CHRNB4 4862/4885CHRNA3 4796/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRNB2 4879/4885CHRNB4 4873/4885CHRNA3 4773/4885

“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.