SCHEMBL981901

SCHEMBL981901

Cc1ccnc2ccc(C#N)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.51
CCNC P24863 3/20 0.51
GAK O14976 2/20 0.49
RIPK2 O43353 2/20 0.49
COQ8A Q8NI60 2/20 0.49
NLK Q9UBE8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPKAPK2 P49137 2/20 0.47
SLC22A12 Q96S37 1/20 0.45
PDE5A O76074 1/20 0.43
CDK19 Q9BWU1 2/20 0.42
CDKN1A P38936 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
Hydrochloric Acid SCHEMBL983082 0.98 CDK8 (0.50) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL16289311 0.82 SMN1; SMN2 (0.47) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL16288743 0.79 SMN1; SMN2 (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL24010750 0.79 GAK (0.64) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843629 0.79 SLC22A12 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843782 0.79 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL23625624 0.79 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL730084 0.79 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL633785 0.79 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL30369707 0.79 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
EP-1910370-B1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR LILLY CO ELI (US) 2015-04-22 EP disclosed
EP-1910370-B1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR LILLY CO ELI (US) 2015-04-22 EP disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
CN-102015678-A Fused pyridine active substances as c-Met inhibitors HOFFMANN LA ROCHE 2011-04-13 CN disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-7872020-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2011-01-18 US disclosed
US-7872020-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2011-01-18 US disclosed
EP-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
US-20100120854-A1 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
US-20100120854-A1 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
EP-1910370-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2008-04-16 EP disclosed
WO-2007018818-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2007-02-15 WO disclosed
WO-2007018818-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2007-02-15 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 (5 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 CDK8 1517/4885CCNC 2710/4885GAK 2159/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 CDK8 3738/4885CCNC 2881/4885GAK 2512/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 CDK8 1061/4885CCNC 2113/4885GAK 2304/4885
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET MET, ROS1, ABL1 CDK8 658/4885CCNC 945/4885GAK 627/4885
US-20100120854-A1 TGF-BETA INHIBITORS TGFBR1, TGFBR2, SMAD3 CDK8 1126/4885CCNC 1738/4885GAK 2143/4885

“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.