SCHEMBL3595604

SCHEMBL3595604

Fc1ccc(Oc2cnc(Nc3cccc(F)c3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.49
APP P05067 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 5/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GRM5 P41594 1/20 0.44
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
EGFR P00533 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL3583812 0.87 SYK (0.61) CDK8APPMEN1NPC1RAB9A
SCHEMBL3600524 0.87 APP (0.62) CDK8APPSYK
SCHEMBL3596154 0.86 KCNH2 (0.51) MEN1KMT2ASYKKCNH2SCN5A
SCHEMBL3589681 0.82 SYK (0.48) APPMEN1ALDH1A1RAB9AKMT2A
SCHEMBL3581475 0.81 SYK (0.48) CDK8APPNPC1RAB9AKMT2A
SCHEMBL3598097 0.80 APP (0.74) CDK8APPMEN1KMT2ASYK
SCHEMBL22191608 0.76 GRM5 (0.49) MEN1NPC1RAB9AKMT2ASYK
SCHEMBL180866 0.76 KDR (0.54) MEN1NPC1RAB9AKMT2ASYK
SCHEMBL24867205 0.76 SCN9A (0.54) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL3951217 0.76 LMNA (0.53) CDK8MEN1NPC1RAB9AKMT2A

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 9 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-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
CN-101448794-A Pyrimidine derivatives for the treatment of amyloid-related diseases SENEXIS LTD (GB) 2009-06-03 CN disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 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 (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 CDK8 1858/4885APP 2/4885MEN1 4130/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT CDK8 1858/4885APP 2/4885MEN1 4130/4885

“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.