SCHEMBL8094835

SCHEMBL8094835

[2H]C([2H])([2H])Oc1cc2nc(Cl)nc(N)c2cc1OC([2H])([2H])[2H]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
SMARCA2 P51531 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.43
UBE2N P61088 2/20 0.42
MEN1 O00255 1/20 0.42
RAD52 P43351 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
EHMT2 Q96KQ7 1/20 0.41
PDPK1 O15530 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
SCHEMBL611438 0.88 POLB (0.59) POLBKMT2ALMNAGLAGAA
SCHEMBL29642054 0.88 POLB (0.59) POLBKMT2ALMNAGLAGAA
Hydrochloric Acid SCHEMBL5251194 0.87 POLB (0.62) POLBKMT2ALMNAGLAGAA
SCHEMBL8094841 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HTTALDH1A1KDM4EEHMT2
SCHEMBL10957061 0.79 POLB (0.49) POLBKMT2ALMNAGLAGAA
SCHEMBL27254053 0.77 DHFR (0.50) POLBKMT2ALMNAGLAGAA
SCHEMBL11490691 0.77 DHFR (0.48) POLBKMT2ALMNAGLAGAA
SCHEMBL17122663 0.77 EGFR (0.49) POLBKMT2ALMNAGLAGAA
SCHEMBL17122641 0.76 POLB (0.47) POLBKMT2ALMNAGLAGAA
SCHEMBL7693165 0.76 ABCB1 (0.50) POLBKMT2ALMNAGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS ADRB1, ADRB2, ADRB3 POLB 2328/4885KMT2A 3646/4885LMNA 972/4885

“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.