SCHEMBL5741274

SCHEMBL5741274

CCCn1c(=O)nc(NC(CO)Cc2ccc(F)cc2)c2cn(-c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
IGF1R P08069 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CACNA1B Q00975 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33

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
SCHEMBL5741468 0.94 ADORA3 (0.41) ADORA3KMT2AKDM4EMEN1MAPT
SCHEMBL5740117 0.71 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5785083 0.70 KDM4E (0.41) ADORA3KMT2AKDM4EMEN1MAPT
SCHEMBL5740691 0.69 ADORA3 (0.50) ADORA3MAPTCCNA2CDK2CCNA1
SCHEMBL6095274 0.68 ADORA1 (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5742433 0.66 ADORA2B (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6094301 0.66 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5742953 0.63 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6095002 0.61 ADORA1 (0.50) ADORA3KMT2AMEN1CYP1A2ADORA2A
SCHEMBL6094990 0.61 ADORA1 (0.50) ADORA3KMT2AMEN1CYP1A2ADORA2A

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-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP 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-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ADORA3 275/4885KMT2A 3727/4885KDM4E 1514/4885

“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.