SCHEMBL5387423

SCHEMBL5387423

CSc1nc(Nc2ccc(N3CCOCC3)cc2)cc(N2CCN(C(=O)OC(C)C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 4/20 0.42
BRAF P15056 2/20 0.42
AURKB Q96GD4 1/20 0.41
JAK2 O60674 2/20 0.41
FLT3 P36888 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IGF1R P08069 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 1/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
TEK Q02763 1/20 0.40
MAPK10 P53779 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL26938050 0.88 GALR2 (0.48) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5389772 0.83 MAPT (0.47) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5402668 0.81 AURKA (0.48) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5820813 0.81 NAMPT (0.47) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5820251 0.81 CYP1A2 (0.45) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5823423 0.81 AURKA (0.46) AURKAKMT2AKDRBRAFAURKB
SCHEMBL29091968 0.80 MAPT (0.49) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5823039 0.80 AURKA (0.50) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5823980 0.80 ZAP70 (0.49) AURKAKMT2AKDRBRAFAURKB
SCHEMBL5386316 0.79 SMN1; SMN2 (0.50) AURKAKMT2ABRAFJAK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276501-B2 6-(4-substituted-anilino)pyrimidine derivatives, method for preparation thereof and antiviral pharmaceutical composition comprising the same B & C BIOPHARM (KR) 2007-10-02 US disclosed
EP-1490358-A4 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM (KR) 2006-04-12 EP disclosed
US-20050222150-A1 6-(4-substituted-anilino)pyrimidine derivates, method for preparation thereof and antiviral pharmaceutical composition comprising the same B & C BIOPHARM (KR) 2005-10-06 US disclosed
EP-1490358-A1 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C Biopharm (KR) 2004-12-29 EP disclosed
WO-2003084953-A1 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM (KR) 2003-10-16 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-20050222150-A1 6-(4-substituted-anilino)pyrimidine derivates, method for preparation thereof and antiviral pharmaceutical composition comprising the same HAVCR2, NUDT1, GART AURKA 2144/4885KMT2A 4775/4885KDR 1699/4885

“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.