SCHEMBL8109101

SCHEMBL8109101

Cc1cc2nc(N(C)CCC#N)nc(N)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMARCA2 P51531 1/20 0.39
KMT2A Q03164 1/20 0.39
NMT1 P30419 2/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3103845 0.83 LMNA (0.61) LMNAGLAPOLBGAASMARCA2
SCHEMBL30815826 0.83 LMNA (0.61) LMNAGLAPOLBGAASMARCA2
Hydrochloric Acid SCHEMBL3107661 0.82 LMNA (0.64) LMNAGLAPOLBGAASMARCA2
SCHEMBL8109087 0.80 LMNA (0.51) LMNAGLAPOLBGAASMARCA2
SCHEMBL10731367 0.72 ALDH1A1 (0.38) LMNAKMT2ANMT1KDM4ERXFP1
SCHEMBL5290618 0.68 LMNA (0.42) LMNAGLAPOLBGAASMARCA2
SCHEMBL14156551 0.67 ALDH1A1 (0.35) LMNAGLAGAAKDM4ERXFP1
SCHEMBL13941828 0.66 LMNA (0.68) LMNAGLAPOLBGAASMARCA2
SCHEMBL2757284 0.65 DHFR (0.45) POLBKDM4E
SCHEMBL3921653 0.64 GLA (0.64) LMNAGLAPOLBGAASMARCA2

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
WO-2008021891-A2 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
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 LMNA 972/4885GLA 1192/4885POLB 2328/4885

“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.