SCHEMBL5407989

SCHEMBL5407989

CNc1nc(SC)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 6/20 0.35
SYK P43405 4/20 0.35
CDK2 P24941 2/20 0.35
NTRK1 P04629 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLK4 O00444 1/20 0.35
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL9153784 0.83 SYK (0.37) KDM4EHTTMAPK1ALDH1A1MAPT
SCHEMBL5416240 0.78 LMNA (0.43) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL5402443 0.77 LRRK2 (0.50) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL12876461 0.77 KDM4E (0.42) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL28300418 0.77 KDM4E (0.42) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL27495000 0.77 LMNA (0.42) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL1521592 0.74 LMNA (0.40) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL15785397 0.74 LMNA (0.40) LMNAKDM4EHTTMAPK1ALDH1A1
SCHEMBL14609722 0.74 LMNA (0.40) LMNAKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL16134092 0.74 LMNA (0.40) LMNAKDM4EHTTMAPK1ALDH1A1

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-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 LMNA 2087/4885KDM4E 2886/4885HTT 75/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LMNA 1618/4885KDM4E 3600/4885HTT 134/4885

“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.