SCHEMBL6976468

SCHEMBL6976468

OCC(Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BMP1 P13497 1/20 0.34
KCNA5 P22460 5/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
KCNH2 Q12809 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17009956 0.82 HDAC3 (0.36) HDAC3HDAC6BMP1KCNA5CYP11B1
SCHEMBL6978240 0.80 CYP11B1 (0.37) HDAC3HDAC6BMP1KCNA5CYP11B1
SCHEMBL1765841 0.79 CYP11B1 (0.40) HDAC3HDAC6BMP1KCNA5CYP11B1
SCHEMBL5643534 0.76 NOS1 (0.47) BMP1
SCHEMBL4957722 0.76 NOS1 (0.47) BMP1
SCHEMBL27089283 0.74 SMN1; SMN2 (0.36) HDAC3HDAC6BMP1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3149192 0.73 CYP11B1 (0.38) HDAC3HDAC6BMP1CYP11B1CYP11B2
SCHEMBL8481796 0.73 CYP11B1 (0.40) HDAC3HDAC6BMP1CYP11B1CYP11B2
SCHEMBL6613495 0.73 HDAC3 (0.40) HDAC3HDAC6BMP1CYP11B1CYP11B2
SCHEMBL9239487 0.73 CYP11B1 (0.37) HDAC3HDAC6BMP1KCNA5CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
CN-1445226-A New cornpound derivated from quinazoline, itd preparation method and medicinal composite containig them ADIR (FR) 2003-10-01 CN disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 HDAC3 1100/4885HDAC6 307/4885BMP1 3147/4885

“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.