SCHEMBL5402428

SCHEMBL5402428

COc1ccc(CSc2cnc(SC)nc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
FFAR1 O14842 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CTSB P07858 1/20 0.42
HTT P42858 1/20 0.41
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5413552 0.85 DAO (0.48) DAOFFAR1MAPTNPC1RAB9A
SCHEMBL27577280 0.80 DAO (0.54) DAOFFAR1MAPTPOLBNPC1
SCHEMBL5408788 0.71 TP53 (0.48) DAOMAPTPOLBNPC1RAB9A
SCHEMBL97659 0.70 NPC1 (0.54) DAOFFAR1MAPTNPC1RAB9A
SCHEMBL16920966 0.70 NPC1 (0.50) DAOMAPTPOLBNPC1RAB9A
SCHEMBL10687383 0.69 APP (0.58) DAOFFAR1NPC1RAB9ATP53
SCHEMBL31294325 0.69 L3MBTL1 (0.45) DAOMAPTNPC1RAB9ATP53
SCHEMBL26601680 0.69 TP53 (0.45) DAOMAPTNPC1RAB9ATP53
SCHEMBL30950282 0.69 LTA4H (0.44) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL29935019 0.68 SMN1; SMN2 (0.57) MAPTNPC1RAB9ATP53SMN1; SMN2

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 DAO 2165/4885FFAR1 629/4885MAPT 13/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 DAO 2033/4885FFAR1 1104/4885MAPT 12/4885

“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.