SCHEMBL4772259

SCHEMBL4772259

CCCCNc1nc(Nc2ccc(S(=O)(=O)NCCSCC)cc2)ncc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
AURKA O14965 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
PLK1 P53350 2/20 0.41
PLK3 Q9H4B4 2/20 0.41
PLK2 Q9NYY3 2/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL4768575 0.86 CHEK1 (0.46) KMT2AALDH1A1HPGDMEN1CA2
SCHEMBL4769260 0.84 CA2 (0.48) CA2CA1CA9AURKACCNT1
SCHEMBL4768085 0.83 SRC (0.49) CA2CA9PLK1PLK3PLK2
SCHEMBL4772257 0.83 CA2 (0.41) CA2CA1CA9AURKACCNT1
SCHEMBL4763724 0.83 CA2 (0.47) CA2CA1CA9AURKACCNT1
SCHEMBL4770616 0.83 RAB9A (0.48) KMT2AALDH1A1HPGDMEN1CA2
SCHEMBL4770543 0.82 CA2 (0.42) KMT2AALDH1A1HPGDMEN1CA2
SCHEMBL4763831 0.81 ALDH1A1 (0.52) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL4768143 0.80 SYK (0.53) CA2CA9AURKAPLK1PLK3
SCHEMBL4772198 0.80 AURKA (0.46) KMT2AALDH1A1HPGDMEN1CA2

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-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 KMT2A 2666/4885ALDH1A1 482/4885HPGD 920/4885

“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.