SCHEMBL5386316

SCHEMBL5386316

CSc1nc(Nc2ccc(N3CCOCC3)cc2)cc(N2CCN(C(=O)c3cccnc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 3/20 0.49
MAPT P10636 3/20 0.49
NAMPT P43490 1/20 0.49
KHK P50053 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.44
JAK2 O60674 2/20 0.44
FLT3 P36888 2/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BRAF P15056 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
IGF1R P08069 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5389772 0.91 MAPT (0.47) SMN1; SMN2MAPTNAMPTKHKALDH1A1
SCHEMBL25386656 0.82 KDR (0.45) SMN1; SMN2TP53MAPTJAK2FLT3
SCHEMBL5823587 0.80 JAK2 (0.43) NAMPTJAK2FLT3BRAFTDP1
SCHEMBL5387423 0.79 AURKA (0.42) SMN1; SMN2TP53MAPTKDM4EJAK2
SCHEMBL26938050 0.79 GALR2 (0.48) SMN1; SMN2MAPTNAMPTALDH1A1JAK2
SCHEMBL5402668 0.78 AURKA (0.48) SMN1; SMN2TP53MAPTALDH1A1KDM4E
SCHEMBL5820251 0.78 CYP1A2 (0.45) SMN1; SMN2MAPTNAMPTALDH1A1KDM4E
SCHEMBL5820813 0.78 NAMPT (0.47) MAPTNAMPTALDH1A1KDM4EBRAF
SCHEMBL29091968 0.78 MAPT (0.49) TP53MAPTALDH1A1KDM4EJAK2
SCHEMBL5823039 0.77 AURKA (0.50) NAMPTALDH1A1KDM4EBRAFTDP1

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 SMN1; SMN2 4007/4885TP53 1589/4885HTT 4451/4885

“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.