SCHEMBL5116980

SCHEMBL5116980

O=[N+]([O-])c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PRKCI P41743 5/20 0.41
PDE5A O76074 4/20 0.40
GAA P10253 1/20 0.40
CLK4 Q9HAZ1 2/20 0.38
PTGS1 P23219 1/20 0.38
TBXAS1 P24557 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL5124147 0.95 MAPT (0.49) MAPTNPSR1MEN1KMT2APRKCI
SCHEMBL7617623 0.91 PRKCI (0.44) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL5121967 0.90 MAPT (0.57) MAPTNPSR1MEN1KMT2APDE5A
SCHEMBL5128405 0.86 MAPT (0.41) MAPTNPSR1MEN1KMT2ACRHBP
SCHEMBL5113942 0.86 PRKCI (0.44) MAPTNPSR1MEN1KMT2APRKCI
SCHEMBL5127500 0.86 MEN1 (0.41) MAPTNPSR1MEN1KMT2ACRHBP
SCHEMBL5128646 0.85 MEN1 (0.42) MAPTNPSR1MEN1KMT2ACRHBP
SCHEMBL5122225 0.85 PRKCI (0.42) MAPTMEN1KMT2APRKCIPDE5A
SCHEMBL5124467 0.84 MAPT (0.64) MAPTNPSR1MEN1KMT2APDE5A
SCHEMBL5777483 0.84 MEN1 (0.41) MAPTNPSR1MEN1KMT2ACRHBP

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 6 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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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 (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 MAPT 2997/4885NPSR1 3053/4885MEN1 696/4885

“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.