SCHEMBL2908412

SCHEMBL2908412

c1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.70
PDE5A O76074 2/20 0.70
KMT2A Q03164 5/20 0.67
HSP90AA1 P07900 2/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
SLC2A1 P11166 1/20 0.67
NCOA1 Q15788 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NCOA3 Q9Y6Q9 1/20 0.67
GBA1 P04062 6/20 0.65
MEN1 O00255 3/20 0.64
OGG1 O15527 1/20 0.59
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
NPC1 O15118 1/20 0.56

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
SCHEMBL2904395 0.82 ACP1 (0.67) ACP1PDE5AKMT2AHSP90AA1GBA1
SCHEMBL2906013 0.82 ACP1 (0.67) ACP1PDE5AKMT2AHSP90AA1GBA1
SCHEMBL4862541 0.82 ACP1 (1.00) ACP1PDE5AKMT2AHSP90AA1HTT
SCHEMBL1083845 0.81 ACP1 (1.00) ACP1PDE5AKMT2AHSP90AA1HTT
SCHEMBL1083972 0.81 ACP1 (0.85) ACP1PDE5AKMT2AHSP90AA1SMN1; SMN2
SCHEMBL2911893 0.80 ACP1 (0.67) ACP1PDE5AKMT2AHSP90AA1GBA1
SCHEMBL12390570 0.80 MEN1 (0.97) ACP1PDE5AKMT2AHSP90AA1GBA1
SCHEMBL9967073 0.80 MEN1 (0.97) ACP1PDE5AKMT2AHSP90AA1GBA1
SCHEMBL3460201 0.79 ACP1 (0.84) ACP1PDE5AKMT2AHSP90AA1SMN1; SMN2
SCHEMBL2911318 0.79 ACP1 (0.58) ACP1PDE5AKMT2AHSP90AA1HTT

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
EP-1966184-B1 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP disclosed
US-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2009-12-10 US disclosed
EP-1966184-A2 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-09-10 EP disclosed
WO-2007071632-A2 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2007-06-28 WO 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-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES KCNJ2, KCNQ1, KCNK2 ACP1 4648/4885PDE5A 697/4885KMT2A 919/4885

“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.