SCHEMBL4060970

SCHEMBL4060970

NC(=O)c1cnc(N)nc1C(Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
IKBKB O14920 2/20 0.36
CCNT1 O60563 1/20 0.36
JAK2 O60674 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL4064979 0.74 ADORA2A (0.55) KDM4EALDH1A1HPGD
SCHEMBL19261369 0.73 P2RX3 (0.45) CDC7KDM4EJAK2
SCHEMBL4560200 0.71 CDC7 (0.56) CDC7IKBKBCCNT1JAK2CCNB2
SCHEMBL8378083 0.70 P2RX3 (0.42)
SCHEMBL28801273 0.68 BCAT2 (0.44) KDM4EALDH1A1HPGDIRAK4PARP1
SCHEMBL2385337 0.67 P2RX3 (0.43) CDC7KDM4EALDH1A1HPGDIKBKB
SCHEMBL16649308 0.66 HSP90AA1 (0.38) CDC7KDM4EALDH1A1PARP1
SCHEMBL14757636 0.66 NNMT (0.46) KDM4EHPGDPARP1
SCHEMBL11820794 0.65 LMNA (0.43) KDM4EALDH1A1HPGD
SCHEMBL16465327 0.64 CDC7 (0.52) CDC7KDM4EALDH1A1JAK2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH CDC7 344/4885KDM4E 2711/4885ALDH1A1 3943/4885

“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.