Sugi Predict

Sugi Predict / Compounds / SCHEMBL4548018

SCHEMBL4548018

SCHEMBL4548018

Cc1csc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ SMN1; SMN2 Q16637 5/20 0.73
▸ NPC1 O15118 4/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ MAPT P10636 6/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ CSNK2A1 P68400 1/20 0.62
▸ PLK3 Q9H4B4 1/20 0.62
▸ CCR4 P51679 2/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HPGD P15428 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TRPV4 Q9HBA0 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CLK1 P49759 1/20 0.55

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
SCHEMBL10626755 0.87 GAA (0.76) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL4560986 0.83 GAA (0.77) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL6795586 0.81 GAA (0.68) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL15177819 0.81 RAB9A (0.68) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL14433270 0.81 GAA (0.68) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16354051 0.80 GAA (0.66) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL3049195 0.80 KMT2A (0.66) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL13167607 0.79 GAA (0.70) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL15303868 0.79 GAA (0.70) GAARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL13185626 0.79 RAB9A (0.70) GAARAB9AKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 — — CN disclosed
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 — — US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 — — US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 — — US disclosed
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 — — US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 — — US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 — — US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 — — US disclosed
WO-2015089481-A2 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 — — WO disclosed
WO-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 — — WO disclosed
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 — — US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — US disclosed
US-7144903-B2 CCR4 antagonists AMGEN INC. (US) 2006-12-05 — — US disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 — — EP disclosed
EP-1578341-A4 MODULATION OF CCR4 FUNCTION TULARIK INC (US) 2005-09-28 — — EP disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 — — US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 — — US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 — — WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 — — US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 — — 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 (7 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT GAA 2514/4885RAB9A 2490/4885KMT2A 761/4885
US-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 GAA 3973/4885RAB9A 3982/4885KMT2A 4260/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 GAA 4035/4885RAB9A 3386/4885KMT2A 4488/4885
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 GAA 1244/4885RAB9A 1341/4885KMT2A 635/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 GAA 2061/4885RAB9A 3369/4885KMT2A 1165/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 GAA 4035/4885RAB9A 3386/4885KMT2A 4488/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 GAA 1938/4885RAB9A 4311/4885KMT2A 638/4885

“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.