SCHEMBL5239757

SCHEMBL5239757

CCc1cc(NC)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
JAK3 P52333 1/20 0.38
CYP3A4 P08684 1/20 0.37
TNNI3K Q59H18 2/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP4K4 O95819 1/20 0.34
ESR1 P03372 1/20 0.33
MAP2K7 O14733 1/20 0.33

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
Dimethylamine SCHEMBL9053689 0.81 HRH4 (0.45) CYP1A2HRH4MAP4K4POLB
SCHEMBL4751914 0.81 HRH4 (0.36) CYP1A2HRH4MEN1KMT2AMAP4K4
SCHEMBL16840694 0.81 CYP1A2 (0.40) CYP1A2CLK4CYP2D6HSD17B10ALOX15
SCHEMBL3150692 0.81 CYP1A2 (0.40) CYP1A2CLK4CYP2D6HSD17B10ALOX15
SCHEMBL5563364 0.78 CYP1A2 (0.50) CYP1A2CLK4CYP2D6HSD17B10ALOX15
SCHEMBL1767952 0.78 HRH4 (0.41) CYP1A2HRH4MAP4K4POLB
SCHEMBL16840699 0.78 CYP1A2 (0.38) CYP1A2CLK4CYP2D6HSD17B10ALOX15
SCHEMBL22240245 0.75 L3MBTL1 (0.44) HRH4L3MBTL1LCK
SCHEMBL19633535 0.74 HRH4 (0.51) CYP1A2CYP2D6HSD17B10ALOX15CYP2C19
SCHEMBL15834608 0.72 CYP1A2 (0.52) CYP1A2CLK4CYP2D6HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
EP-3495358-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2019-06-12 EP disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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 (3 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CYP1A2 831/4885CLK4 249/4885CYP2D6 354/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP1A2 4285/4885CLK4 370/4885CYP2D6 4304/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR CYP1A2 77/4885CLK4 2336/4885CYP2D6 737/4885

“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.