SCHEMBL5123546

SCHEMBL5123546

CCc1cc2c(NCc3cccc([N+](=O)[O-])c3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.52
ABCG2 Q9UNQ0 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
AGTR1 P30556 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KCNN3 Q9UGI6 1/20 0.42

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
SCHEMBL5128667 0.90 PDE5A (0.52) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5129154 0.90 PDE5A (0.48) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5122316 0.89 PDE5A (0.53) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5116047 0.88 PDE5A (0.52) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5115127 0.88 PDE5A (0.50) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5129048 0.86 PRKCI (0.58) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5122213 0.86 ICAM1 (0.63) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5129032 0.85 PDE5A (0.48) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5114946 0.84 PDE5A (0.60) PDE5AABCG2MAPTMEN1KMT2A
SCHEMBL5124025 0.83 PDE5A (0.49) PDE5AMAPTMEN1KMT2AALDH1A1

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 2002/4885ABCG2 1316/4885MAPT 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.