Sugi Predict

Sugi Predict / Compounds / SCHEMBL10173057

SCHEMBL10173057

SCHEMBL10173057

Nc1cccc(-c2cc3cc(N)ccc3[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.77
▸ RAB9A P51151 5/20 0.77
▸ KDM4E B2RXH2 4/20 0.77
▸ MEN1 O00255 3/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ MAPT P10636 3/20 0.77
▸ KMT2A Q03164 3/20 0.77
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ HPGD P15428 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ GFER P55789 1/20 0.77
▸ BRD4 O60885 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ F2 P00734 2/20 0.49
▸ F10 P00742 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ CYP19A1 P11511 3/20 0.49

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
SCHEMBL29513345 0.95 NPC1 (0.69) NPC1RAB9AKDM4EMEN1ALDH1A1
Pyrimidine SCHEMBL28617628 0.89 MEN1 (0.63) NPC1RAB9AKDM4EMEN1ALDH1A1
Pyridine SCHEMBL28610847 0.89 NPC1 (0.63) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL31548558 0.87 NPC1 (0.64) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL1465037 0.87 NPC1 (0.64) NPC1RAB9AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11003375 0.86 NPC1 (0.62) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL11724742 0.86 NPC1 (0.67) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL10173083 0.86 NPC1 (0.62) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL29513520 0.85 CYP2A6 (0.57) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL1663580 0.83 CYP2A6 (0.55) NPC1RAB9AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 — — US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 — — US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 — — US disclosed
CN-107383372-B Polyimide film with pyrimidine side group and preparation method thereof 江汉大学 2018-07-03 — — CN disclosed
CN-107383372-A Polyimide film with pyrimidine side base and preparation method thereof 江汉大学 2017-11-24 — — CN disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 — — US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 — — US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — US disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — 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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885

“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.