SCHEMBL5380919

SCHEMBL5380919

CSc1nc(Nc2ccc(N3CCOCC3)cc2)cc(N2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
AURKA O14965 3/20 0.48
MAPK10 P53779 2/20 0.48
IGF1R P08069 1/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.44
AURKB Q96GD4 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
BPTF Q12830 1/20 0.42
KDR P35968 1/20 0.42
MYLK4 Q86YV6 1/20 0.42
STK17A Q9UEE5 1/20 0.42
PLK4 O00444 1/20 0.42
KDM1A O60341 1/20 0.41
ZAP70 P43403 1/20 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
SCHEMBL5821753 0.86 AURKA (0.45) KMT2AAURKACYP1A2AURKBKDR
SCHEMBL29091968 0.84 MAPT (0.49) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL5402668 0.81 AURKA (0.48) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL5381106 0.81 KMT2A (0.61) KMT2AMAPTKDM4EAURKAMAPK10
SCHEMBL5815015 0.80 AURKA (0.47) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL5389772 0.80 MAPT (0.47) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL26938050 0.79 GALR2 (0.48) KMT2AMAPTAURKAAURKBLMNA
SCHEMBL5387423 0.79 AURKA (0.42) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL5822050 0.79 INSR (0.46) KMT2AMAPTKDM4ERXFP1AURKA
SCHEMBL5824056 0.78 AURKA (0.48) KMT2AMAPTKDM4ERXFP1AURKA

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 10 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 claimed
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 claimed
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
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
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
WO-2006137706-A1 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM. CO., LTD. (KR) 2006-12-28 WO 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 KMT2A 4775/4885MAPT 4588/4885KDM4E 2163/4885

“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.