SCHEMBL30450188

SCHEMBL30450188

O=c1[nH]c2ncncc2cc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CD O00329 1/20 0.40
LRRK2 Q5S007 4/20 0.37
APAF1 O14727 1/20 0.37
CDC25B P30305 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
XDH P47989 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 1/20 0.36
CSF1R P07333 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
SCHEMBL4102801 0.80 PIK3CA (0.40) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL30451058 0.73 DAO (0.37) CSF1R
SCHEMBL29860966 0.72 CYP1A2 (0.46) MEN1KMT2AHTT
SCHEMBL7716629 0.71 PIK3CA (0.54) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL5004592 0.69 TP53 (0.50) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL3598758 0.69 MAPT (0.50) MEN1POLBKMT2AAPAF1CDC25B
SCHEMBL3599361 0.69 MAPT (0.50) MEN1POLBKMT2AAPAF1CDC25B
SCHEMBL13545297 0.68 APAF1 (0.41) MEN1KMT2APIK3CAPIK3CBPIK3CD
SCHEMBL31541774 0.68 PIK3CD (0.47) MEN1KMT2APIK3CAPIK3CBPIK3CD
SCHEMBL13533943 0.68 BRD4 (0.41) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219951-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219951-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, SOS1, HINT1 MEN1 421/4885POLB 3012/4885KMT2A 4671/4885

“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.