SCHEMBL20154904

SCHEMBL20154904

Cc1cc(Nc2ncc(-c3ccco3)c(NC3CCNCC3)n2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 4/20 0.52
PAK4 O96013 3/20 0.52
TYRO3 Q06418 7/20 0.51
MERTK Q12866 6/20 0.51
AXL P30530 5/20 0.51
SELP P16109 1/20 0.49
IGF1R P08069 3/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 1/20 0.44
PRKAB2 O43741 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA2 P54646 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
CHEK1 O14757 1/20 0.41
FLT3 P36888 2/20 0.41
GAS6 Q14393 2/20 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
SCHEMBL20154911 0.86 TYRO3 (0.54) PAK4TYRO3MERTKAXLSELP
SCHEMBL20155274 0.81 PLK4 (0.52) PLK4PAK4TYRO3MERTKAXL
SCHEMBL20155307 0.79 TYRO3 (0.63) PLK4PAK4TYRO3MERTKAXL
SCHEMBL24158268 0.73 TYRO3 (0.44) TYRO3MERTKAXLSELPPRKAB2
SCHEMBL21299961 0.71 PLK4 (0.50) PLK4PAK4TYRO3MERTKAXL
SCHEMBL21795974 0.69 TYRO3 (0.79) TYRO3MERTKAXLSELPFLT3
SCHEMBL30819919 0.69 TYRO3 (0.79) TYRO3MERTKAXLSELPFLT3
SCHEMBL20154970 0.69 AXL (0.52) PAK4TYRO3MERTKAXLSELP
SCHEMBL13945047 0.68 ITK (0.42) PLK4PAK4IGF1R
SCHEMBL21795923 0.67 TYRO3 (1.00) TYRO3MERTKAXLSELPCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530656-B1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF UNIV ZHEJIANG (CN) 2022-01-05 EP disclosed
US-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof ZHEJIANG UNIVERSITY (CN) 2020-11-03 US disclosed
EP-3530656-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF Zhejiang University (CN) 2019-08-28 EP disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 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 (1 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-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof CHEK1, CHEK2, PLK1 PLK4 34/4885PAK4 131/4885TYRO3 719/4885

“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.