SCHEMBL7493587

SCHEMBL7493587

Nc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PDE4A P27815 2/20 0.62
PDE4B Q07343 2/20 0.62
PDE4C Q08493 2/20 0.62
PDE4D Q08499 2/20 0.62
PDE2A O00408 1/20 0.59
PDE1A P54750 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE1C Q14123 1/20 0.59
CLK4 Q9HAZ1 3/20 0.56
APP P05067 2/20 0.54
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51

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
SCHEMBL4924574 0.89 PDE5A (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7503857 0.87 PDE5A (0.69) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13192094 0.85 PDE5A (0.67) PDE5AMEN1ALDH1A1KMT2AAPP
SCHEMBL7502657 0.84 PDE4A (0.65) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7496663 0.84 PDE5A (0.71) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7492651 0.84 PDE5A (0.66) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7492948 0.84 PDE5A (0.66) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7495616 0.84 PDE4A (0.67) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8015499 0.84 PDE5A (0.66) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8019648 0.83 PDE4A (0.63) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 PDE5A 2260/4885MEN1 340/4885ALDH1A1 565/4885

“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.