SCHEMBL3589836

SCHEMBL3589836

COc1cccc(Nc2ncc(Oc3cccc(N(C)C)c3)cn2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.76
SYK P43405 1/20 0.51
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
EGFR P00533 2/20 0.48
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 2/20 0.46
CYP1A2 P05177 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH3 Q9ULD8 1/20 0.45
IGF1R P08069 1/20 0.45

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
SCHEMBL3591217 0.88 APP (0.77) APPEGFRCDK1KDRIGF1R
SCHEMBL14753415 0.88 APP (0.76) APPCCNA2CDK2CDK5CDK5R1
SCHEMBL3598097 0.86 APP (0.74) APPSYKEGFRKDRMEN1
SCHEMBL3602388 0.86 APP (1.00) APPSYK
SCHEMBL3651837 0.85 APP (0.57) APPSYKEGFRMEN1KMT2A
SCHEMBL4552735 0.82 APP (0.53) APPSYKCCNA2CDK2CDK5
SCHEMBL3583812 0.81 SYK (0.61) APPSYKCCNA2CDK2CDK5
SCHEMBL3607808 0.80 APP (0.72) APPSYKCCNA2CDK2CDK5
SCHEMBL20838956 0.78 SMN1; SMN2 (0.55) APPMEN1KMT2ACYP3A4RAB9A
SCHEMBL30053811 0.78 SMN1; SMN2 (0.55) APPMEN1KMT2ACYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 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 (2 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885SYK 3311/4885CCNA2 1092/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT APP 2/4885SYK 3311/4885CCNA2 1092/4885

“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.