Sugi Predict

Sugi Predict / Compounds / SCHEMBL2376586

SCHEMBL2376586

SCHEMBL2376586

Fc1ccc(CN2CCOCC2)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.68
▸ HTT P42858 3/20 0.62
▸ HRH3 Q9Y5N1 2/20 0.54
▸ FAAH O00519 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ NCF1 P14598 1/20 0.50
▸ CYP2A13 Q16696 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ PDE4B Q07343 1/20 0.45
▸ HIF1A Q16665 1/20 0.44
▸ EPAS1 Q99814 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KCNJ1 P48048 1/20 0.44

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
SCHEMBL538318 0.87 HTT (0.58) KDM4EHTTHRH3ALDH1A1NCF1
SCHEMBL1552775 0.82 HRH3 (0.61) HTTHRH3ALDH1A1NCF1CYP2A13
SCHEMBL4943403 0.81 HTT (0.59) KDM4EHTTHRH3ALDH1A1NCF1
SCHEMBL29468755 0.81 KDM4E (0.52) KDM4EHTTHRH3FAAHALDH1A1
SCHEMBL17724130 0.81 HRH3 (0.54) KDM4EHTTHRH3ALDH1A1NCF1
SCHEMBL29468844 0.81 KDM4E (0.68) KDM4EHTTFAAHALDH1A1NCF1
SCHEMBL414890 0.81 KDM4E (0.68) KDM4EHTTFAAHALDH1A1NCF1
SCHEMBL19603235 0.81 HTT (0.62) KDM4EHTTHRH3ALDH1A1NCF1
SCHEMBL4943379 0.80 HTT (0.58) KDM4EHTTHRH3ALDH1A1NCF1
Hydrochloric Acid SCHEMBL29206932 0.79 KDM4E (0.66) KDM4EHTTHRH3FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 — — US claimed
CN-1432001-A 1-aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents UPJOHN CO (US) 2003-07-23 — — CN claimed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 — — EP claimed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 — — US claimed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 — — WO claimed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 — — WO disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 — — CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — EP disclosed
CN-1161336-C Quinoline carboxamides as antiviral agents �������Ŷ���Լ��������˾ 2004-08-11 — — CN disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 — — US disclosed
CN-1333753-A Quinoline carboxamides as antiviral agents UPJOHN CO (US) 2002-01-30 — — CN disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 — — WO disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 — — WO disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 — — EP disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 — — WO disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 — — US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 — — 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 (4 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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 KDM4E 714/4885HTT 2422/4885HRH3 18/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 KDM4E 2852/4885HTT 4310/4885HRH3 2142/4885
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 KDM4E 314/4885HTT 4476/4885HRH3 872/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L KDM4E 178/4885HTT 4587/4885HRH3 711/4885

“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.