SCHEMBL5425880

SCHEMBL5425880

CNc1nc(Cl)ncc1SCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
DAO P14920 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL5408788 0.84 TP53 (0.48) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL31011580 0.72 TP53 (0.43) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL8495430 0.71 MAPT (0.50) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL5413552 0.70 DAO (0.48) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL30395245 0.70 CCNE2 (0.57) MAPTPOLBMEN1KMT2ATP53
SCHEMBL29019899 0.70 CCNE2 (0.57) MAPTPOLBMEN1KMT2ATP53
SCHEMBL29976549 0.69 CCNE2 (0.56) MAPTPOLBMEN1KMT2ATP53
SCHEMBL23642689 0.69 CCNE2 (0.53) MAPTPOLBMEN1KMT2ATP53
SCHEMBL5419429 0.69 XDH (0.39) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL27595525 0.69 MAPT (0.50) MAPTPOLBMEN1KMT2ACYP1A2

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 3 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
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 MAPT 13/4885POLB 1630/4885MEN1 3119/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MAPT 12/4885POLB 1148/4885MEN1 2729/4885

“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.