SCHEMBL10141896

SCHEMBL10141896

Cc1ccc(C(C)C)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 3/20 0.49
PSMD14 O00487 2/20 0.49
COPS5 Q92905 2/20 0.49
SLC6A2 P23975 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CCR1 P32246 3/20 0.44
CCR8 P51685 3/20 0.44
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC40A1 Q9NP59 2/20 0.40

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
SCHEMBL11321990 0.86 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL890161 0.85 PSMD14 (0.58) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL12131703 0.85 HTR1A (0.53) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL18368389 0.80 KDM4E (0.47) MEN1KMT2ASMN1; SMN2HTTSLC6A2
SCHEMBL4029699 0.80 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL22031920 0.80 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL13797358 0.80 CYP2C19 (0.62) MEN1KMT2ASMN1; SMN2HTTSLC6A2
SCHEMBL18368378 0.80 L3MBTL1 (0.47) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL812451 0.80 HTT (0.70) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL13193181 0.78 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2HTTPSMD14

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
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 EP disclosed
EP-3655401-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 EP disclosed
EP-3497094-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-02-15 EP disclosed
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed
US-20220395496-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20210371432-A1 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease HOFFMANN-LA ROCHE INC. (US) 2021-12-02 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3456717-B1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVE AS CANCER OSAKA THYROID (COT) MODULATOR FOR TREATING INFLAMMATORY DISEASE GILEAD SCIENCES INC (US) 2021-03-17 EP disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 US disclosed
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 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-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7468439-B2 Alkylene bridged sultam compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-23 US disclosed
US-20080090883-A1 ALKYLENE BRIDGED SULTAM COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2008-04-17 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 (11 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885SMN1; SMN2 4162/4885
US-20210371432-A1 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease HLA-DRB1, SSB, REN MEN1 45/4885KMT2A 811/4885SMN1; SMN2 1173/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885SMN1; SMN2 4162/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 MEN1 4759/4885KMT2A 2964/4885SMN1; SMN2 3944/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 MEN1 4020/4885KMT2A 3948/4885SMN1; SMN2 2200/4885
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, PYGL MEN1 4842/4885KMT2A 2429/4885SMN1; SMN2 4121/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 MEN1 4800/4885KMT2A 2241/4885SMN1; SMN2 3504/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 MEN1 3521/4885KMT2A 4050/4885SMN1; SMN2 1977/4885
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF MEN1 3448/4885KMT2A 1119/4885SMN1; SMN2 4787/4885
US-20080090883-A1 ALKYLENE BRIDGED SULTAM COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION SULT2A1, SULT1A1, NR5A1 MEN1 3039/4885KMT2A 560/4885SMN1; SMN2 4098/4885
US-20220395496-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, HRH3 MEN1 395/4885KMT2A 563/4885SMN1; SMN2 1291/4885

“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.