SCHEMBL4064974

SCHEMBL4064974

N#Cc1c(Cl)nc(N)nc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.45
ADORA2A P29274 9/20 0.45
MPO P05164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
HTT P42858 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
ADORA2B P29275 2/20 0.43
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LTB4R Q15722 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
SCHEMBL4064971 0.79 ADORA2A (0.42) ADORA1ADORA2AALDH1A1HPGDKMT2A
SCHEMBL6444882 0.75 MGMT (0.57) ADORA1ADORA2AMPOCYP1A2CYP2C9
SCHEMBL6072067 0.74 KDM4E (0.51) ADORA1ADORA2AALDH1A1HPGDKMT2A
SCHEMBL7606821 0.73 KDM4E (0.58) ADORA1ADORA2AALDH1A1HPGDKDM4E
SCHEMBL2569855 0.73 ADORA1 (0.77) ADORA1ADORA2AKMT2AMEN1ADORA2B
SCHEMBL4060972 0.73 MPO (0.44) ADORA1ADORA2AMPOALDH1A1HPGD
SCHEMBL17458364 0.72 ALDH1A1 (0.54) ADORA1ADORA2AALDH1A1HPGDKMT2A
SCHEMBL11089423 0.71 LMNA (0.42) ALDH1A1HPGDKMT2AMEN1CYP1A2
SCHEMBL2872507 0.71 ADORA2A (0.56) ADORA1ADORA2AMPOALDH1A1HTT
SCHEMBL13686467 0.69 CYP2D6 (0.54) ALDH1A1HPGDKDM4ERAB9ADHFR

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 ADORA1 707/4885ADORA2A 612/4885MPO 2671/4885

“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.