SCHEMBL5129296

SCHEMBL5129296

Cc1cc2c(NCc3cccc([N+](=O)[O-])c3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.59
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 1/20 0.44
PTGS2 P35354 1/20 0.44
PRKCI P41743 6/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
EGFR P00533 1/20 0.41

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
SCHEMBL5115488 0.90 PDE5A (0.61) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128123 0.90 PDE5A (0.60) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5129048 0.89 PRKCI (0.58) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128315 0.89 PDE5A (0.59) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL8180049 0.88 PDE5A (0.59) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL8186277 0.87 PDE5A (0.55) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128411 0.86 PDE5A (0.56) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5129167 0.85 PDE5A (0.48) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL5128667 0.85 PDE5A (0.52) PDE5AMEN1KMT2AMAPTALDH1A1
SCHEMBL7513372 0.85 PDE5A (0.55) PDE5AMEN1KMT2AMAPTALDH1A1

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.