SCHEMBL5128786

SCHEMBL5128786

Cc1cc2c(NCc3cccc([N+](=O)[O-])c3)nc(-n3cncn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
EGFR P00533 3/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KCNN3 Q9UGI6 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
IGF1R P08069 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5122242 0.90 PDE5A (0.46) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5118421 0.90 PDE5A (0.44) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5122505 0.89 PDE5A (0.45) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5127988 0.88 PDE5A (0.47) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5120854 0.87 PDE5A (0.43) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5119048 0.86 PDE5A (0.42) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL5120089 0.86 PDE5A (0.61) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL7611752 0.85 PDE5A (0.46) PDE5AMEN1MAPTKMT2AEGFR
SCHEMBL7617169 0.85 EGFR (0.44) PDE5AEGFRPDE3BPDE3AHRH4
SCHEMBL5123615 0.84 KCNN3 (0.42) PDE5AMEN1MAPTKMT2AEGFR

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 696/4885MAPT 2997/4885

“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.