SCHEMBL4533550

SCHEMBL4533550

Nc1cccc(NC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
DDB1 Q16531 3/20 0.50
CRBN Q96SW2 3/20 0.50
DDX3X O00571 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HTR6 P50406 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL24661857 0.92 KDM4E (0.48) KDM4EMAPTTDP1GAAMEN1
SCHEMBL15928723 0.92 KDM4E (0.48) KDM4EMAPTTDP1GAAMEN1
SCHEMBL21799663 0.90 KDM4E (0.50) KDM4EMAPTTDP1GAAMEN1
SCHEMBL29922322 0.90 KDM4E (0.50) KDM4EMAPTTDP1GAAMEN1
SCHEMBL4069931 0.87 DDB1 (0.48) KDM4EMAPTTDP1GAAMEN1
SCHEMBL15289750 0.84 KDM4E (0.46) KDM4EMAPTTDP1GAAMEN1
SCHEMBL1197844 0.84 POLB (0.54) KDM4EMAPTTDP1GAAMEN1
SCHEMBL19675712 0.81 DDB1 (0.43) KDM4EMAPTTDP1GAAMEN1
SCHEMBL4066935 0.80 HTR6 (0.47) KDM4EMAPTTDP1GAAMEN1
SCHEMBL22694536 0.79 KDM4E (0.51) KDM4EMEN1KMT2ADDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773274-A Novel 4, 6-pyrimidine derivatives and application thereof in antitumor drugs 四川大学华西医院 2022-07-22 CN disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 KDM4E 2349/4885MAPT 3649/4885TDP1 2226/4885

“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.