SCHEMBL5128646

SCHEMBL5128646

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
PDE5A O76074 4/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL7513993 0.95 PDE5A (0.41) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL5128928 0.95 USP1 (0.47) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL7611837 0.92 METAP1 (0.43) KMT2ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL7519412 0.90 PDE5A (0.46) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL5128405 0.89 MAPT (0.41) MEN1KMT2APDE5AUSP1WDR48
SCHEMBL5126388 0.87 L3MBTL1 (0.43) KMT2ANPC1PDE5AUSP1WDR48
SCHEMBL5115046 0.86 NPC1 (0.44) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL5129474 0.86 KMT2A (0.57) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL5777483 0.85 MEN1 (0.41) MEN1KMT2ANPC1PDE5AUSP1
SCHEMBL5116980 0.85 MAPT (0.43) MEN1KMT2APDE5AUSP1WDR48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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 (1 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 MEN1 696/4885KMT2A 388/4885NPC1 4863/4885

“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.