SCHEMBL1622223

SCHEMBL1622223

CNc1nc(Cl)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.61
CYP2D6 P10635 7/20 0.61
CYP3A4 P08684 6/20 0.61
CYP2C19 P33261 6/20 0.61
HSD17B10 Q99714 5/20 0.61
CYP2C9 P11712 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
MAPK1 P28482 2/20 0.61
APP P05067 2/20 0.60
PDE5A O76074 1/20 0.60
KDM4E B2RXH2 5/20 0.59
LMNA P02545 3/20 0.59
CLK4 Q9HAZ1 3/20 0.54
USP2 O75604 2/20 0.54
ALOX15 P16050 2/20 0.54
CYP1A1 P04798 2/20 0.53
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50

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
SCHEMBL29648985 0.81 APP (0.60) CYP1A2CYP2D6CYP3A4HSD17B10TDP1
SCHEMBL8821164 0.81 APP (0.60) CYP1A2CYP2D6CYP3A4HSD17B10TDP1
SCHEMBL3946412 0.80 CCNE2 (0.67) APPPDE5AKDM4ELMNAMAPT
SCHEMBL29161537 0.80 APP (0.69) CYP1A2APPPDE5ACYP1A1MAPT
SCHEMBL30960995 0.79 NPY5R (0.66) MAPK1APPPDE5AKDM4ECLK4
SCHEMBL2257238 0.79 NPY5R (0.66) MAPK1APPPDE5AKDM4ECLK4
SCHEMBL14606852 0.78 BCHE (0.68) CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10
SCHEMBL12736488 0.78 LMNA (0.61) CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10
SCHEMBL3598923 0.78 HTR3A (0.57) HTTALDH1A1HTR3A
SCHEMBL21055788 0.78 HRH4 (0.57) CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083886-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-25 WO disclosed
EP-4357343-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-24 EP disclosed
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
CN-1582281-A MCH receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 CN disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed
EP-0227450-A2 Substituted 5,6-Dialkoxyquinazoline Derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1987-07-01 EP disclosed
US-4672116-A CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-06-09 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 (4 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-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof LRRK2, NLN, AADAT CYP1A2 2110/4885CYP2D6 1830/4885CYP3A4 2415/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 CYP1A2 615/4885CYP2D6 671/4885CYP3A4 1720/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 CYP1A2 4860/4885CYP2D6 4747/4885CYP3A4 4548/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R CYP1A2 686/4885CYP2D6 763/4885CYP3A4 973/4885

“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.