SCHEMBL5116210

SCHEMBL5116210

O=[N+]([O-])c1cccc(CNc2nc(-c3ccno3)nc3sc([N+](=O)[O-])cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KCNN3 Q9UGI6 1/20 0.41
EGFR P00533 2/20 0.40
IGF1R P08069 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ATM Q13315 1/20 0.37
TDO2 P48775 2/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5114902 0.91 MEN1 (0.44) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5130386 0.90 PDE5A (0.49) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5123397 0.90 PDE5A (0.49) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5129032 0.89 PDE5A (0.48) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5130862 0.89 PDE5A (0.48) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128125 0.87 HTT (0.39) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5118457 0.85 USP1 (0.40) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5118536 0.85 MEN1 (0.43) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128123 0.84 PDE5A (0.60) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128648 0.83 MAPT (0.44) PDE5AKMT2AMAPTKDM4ETDP1

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 PDE5A 2002/4885MEN1 696/4885KMT2A 388/4885

“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.