SCHEMBL5115699

SCHEMBL5115699

O=[N+]([O-])c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3cccnc3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GBA1 P04062 10/20 0.44
PDE5A O76074 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.41
HPGD P15428 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39

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
SCHEMBL7513594 0.95 MAPT (0.49) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL7622025 0.95 MAPT (0.47) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5124467 0.92 MAPT (0.64) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5113942 0.90 PRKCI (0.44) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5128548 0.87 BCDIN3D (0.39) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5121967 0.87 MAPT (0.57) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5125323 0.86 MAPT (0.57) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5129771 0.86 MAPT (0.57) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL7516851 0.86 PRKCI (0.41) MAPTNPSR1PDE5AKDM4ECYP1A2
SCHEMBL5125302 0.85 GBA1 (0.60) MAPTGBA1PDE5ACYP1A2CYP3A4

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
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US 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 MAPT 2997/4885NPSR1 3053/4885GBA1 4788/4885

“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.