Sugi Predict

Sugi Predict / Compounds / SCHEMBL167603

SCHEMBL167603

SCHEMBL167603

COc1nc2ccccc2cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.55
▸ PDE10A Q9Y233 1/20 0.52
▸ TLR8 Q9NR97 1/20 0.50
▸ BTK Q06187 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MBNL1 Q9NR56 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ NQO2 P16083 3/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL18023069 0.82 TDP1 (0.53) TDP1PDE10ATLR8KDM4EALDH1A1
SCHEMBL180365 0.80 TLR8 (0.65) TLR8BTKKDM4EALDH1A1HPGD
SCHEMBL18023063 0.79 ALDH1A1 (0.62) TDP1PDE10ATLR8KDM4EALDH1A1
SCHEMBL28328029 0.79 LMNA (0.53) TDP1PDE10AKDM4EALDH1A1HPGD
SCHEMBL31378885 0.78 TLR8 (0.58) TLR8BTKKDM4EALDH1A1HPGD
SCHEMBL17690407 0.78 TLR8 (0.49) TDP1TLR8BTKKDM4EALDH1A1
SCHEMBL177896 0.78 TLR8 (0.58) TLR8BTKKDM4EALDH1A1HPGD
SCHEMBL16654428 0.78 ALDH1A1 (0.58) TDP1TLR8BTKKDM4EALDH1A1
SCHEMBL18023061 0.78 TLR8 (0.49) TDP1TLR8BTKKDM4EALDH1A1
SCHEMBL13597758 0.78 CYP1A2 (0.48) KDM4EALDH1A1MAPTGAANQO2

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
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 — — EP disclosed
EP-3010055-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2021-10-20 — — EP disclosed
WO-2021126693-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-06-24 — — WO disclosed
EP-3736271-A1 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2020-11-11 — — EP disclosed
EP-2429568-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-08-17 — — EP disclosed
EP-3010055-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2016-04-20 — — EP disclosed
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2015-08-06 — — US disclosed
US-8936781-B2 Macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-20 — — US disclosed
WO-2014116845-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-31 — — WO disclosed
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS NOVARTIS AG (CH) 2014-07-24 — — US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 TDP1 1372/4885PDE10A 172/4885TLR8 1756/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 TDP1 2246/4885PDE10A 588/4885TLR8 4691/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 TDP1 1060/4885PDE10A 835/4885TLR8 4664/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 TDP1 2019/4885PDE10A 665/4885TLR8 3919/4885
US-20150218175-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 TDP1 48/4885PDE10A 826/4885TLR8 4594/4885
US-20140206661-A1 THIADIAZOLE ANALOGS THEREOF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED-CONDITIONS SMN1; SMN2, SF3B5, SF3B1 TDP1 48/4885PDE10A 826/4885TLR8 4594/4885

“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.