SCHEMBL545332

SCHEMBL545332

Cc1cn2nccc2nc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.37
DYRK1A Q13627 2/20 0.35
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SCN5A Q14524 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31

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
SCHEMBL15690266 0.80 PDE10A (0.35) TGFBR1DYRK1APDE10ACYP1A2POLB
SCHEMBL15261493 0.80 DYRK1A (0.40) TGFBR1DYRK1APDE10ACYP1A2POLB
SCHEMBL15715209 0.80 TGFBR1 (0.45) TGFBR1DYRK1ASCN5A
SCHEMBL17132597 0.77 CYP1A2 (0.33) TGFBR1DYRK1APDE10ACYP1A2POLB
SCHEMBL24113587 0.76 PDE10A (0.42) DYRK1APDE10APOLB
SCHEMBL10591743 0.73 TGFBR1 (0.32) TGFBR1KCNN3
SCHEMBL2066959 0.72 DYRK1A (0.47) TGFBR1DYRK1APDE10A
SCHEMBL14432725 0.72 TGFBR1 (0.35) TGFBR1DYRK1ACYP1A2POLBCYP2D6
SCHEMBL2750457 0.72 TGFBR1 (0.51) TGFBR1DYRK1ACYP1A2NOS3NOS2
Hydrochloric Acid SCHEMBL23290947 0.71 DYRK1A (0.46) TGFBR1DYRK1APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
EP-3099690-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
US-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 US disclosed
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 US disclosed
EP-2076237-A1 COMPOSITION FOR OXIDATION DYEING KERATINOUS FIBRES COMPRISING AT LEAST ONE PARTICULAR AMMONIUM SALT DERIVED FROM 18MEA, AND A COLOURING METHOD USING THE COMPOSITION L'Oreal (FR) 2009-07-08 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed
WO-2008049767-A1 COMPOSITION FOR OXIDATION DYEING KERATINOUS FIBRES COMPRISING AT LEAST ONE PARTICULAR AMMONIUM SALT DERIVED FROM 18MEA, AND A COLOURING METHOD USING THE COMPOSITION L'OREAL (FR) 2008-05-02 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 (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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 TGFBR1 1267/4885DYRK1A 2869/4885PDE10A 1053/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TGFBR1 4565/4885DYRK1A 4868/4885PDE10A 2063/4885
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CRH, CRHR1, CRHR2 TGFBR1 2270/4885DYRK1A 3678/4885PDE10A 838/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TGFBR1 4565/4885DYRK1A 4868/4885PDE10A 2063/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TGFBR1 4565/4885DYRK1A 4868/4885PDE10A 2063/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TGFBR1 4609/4885DYRK1A 4848/4885PDE10A 2457/4885

“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.