SCHEMBL10057776

SCHEMBL10057776

CNc1cc(Oc2cccc3cccnc23)nc(Nc2ccc(C#N)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EGLN1 Q9GZT9 1/20 0.40
GLO1 Q04760 2/20 0.40
ACHE P22303 1/20 0.39
SLC2A1 P11166 1/20 0.39
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
IKBKB O14920 1/20 0.38
HPGDS O60760 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4572103 0.88 CYP2C9 (0.51) MEN1KMT2ACYP2C9CYP2C19ABCG2
SCHEMBL4572094 0.86 MEN1 (0.49) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL4568606 0.84 KDM4E (0.42) MEN1KMT2AKDM4EACHELMNA
SCHEMBL10056671 0.83 KCNH2 (0.50) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL4568608 0.71 KDM4E (0.43) MEN1KMT2AKDM4EEGLN1LMNA
SCHEMBL8249487 0.71 MEN1 (0.58) MEN1KMT2ACYP2C19KDM4EEGLN1
SCHEMBL4568612 0.69 KDM4E (0.43) MEN1KMT2AKDM4EACHELMNA
SCHEMBL31235623 0.67 EGLN1 (0.50) MEN1KMT2AABCG2KDM4EEGLN1
SCHEMBL28617594 0.67 EGLN1 (0.50) MEN1KMT2AABCG2KDM4EEGLN1
SCHEMBL4568607 0.66 KDM4E (0.47) KDM4EKCNH2SCN5ASCN9AMAPT

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-8809343-B2 Pyrimidine derivative, preparation method and use thereof FUDAN UNIVERSITY (CN) 2014-08-19 US disclosed
US-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2012-05-17 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-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF DPYD, TYMP, TYMS MEN1 3555/4885KMT2A 3566/4885CYP2C9 325/4885

“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.