SCHEMBL4540355

SCHEMBL4540355

Cc1ccc(C)n2nc(C=Cc3nc(-c4ccccc4)c[nH]3)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.44
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6417182 1.00 PDE10A (0.44) PDE10AAPOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL259227 0.82 PDE10A (0.43) PDE10AKDM4ENPC1RAB9A
SCHEMBL259226 0.82 PDE10A (0.43) PDE10AKDM4ENPC1RAB9A
SCHEMBL260224 0.79 PDE10A (0.50) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL260223 0.79 PDE10A (0.50) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL258857 0.78 PDE10A (0.48) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL258858 0.78 PDE10A (0.48) PDE10AKDM4ENPC1RAB9AALDH1A1
SCHEMBL259831 0.77 PDE10A (0.57) PDE10A
SCHEMBL259832 0.77 PDE10A (0.57) PDE10A
SCHEMBL15384521 0.75 PDE10A (0.61) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637704-B9 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS LUNDBECK & CO AS H (DK) 2015-08-05 EP disclosed
EP-2637704-B1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS LUNDBECK & CO AS H (DK) 2015-03-25 EP disclosed
US-8592449-B1 Radiolabelled phenylimidazole-based ligands H. LUNDBECK A/S (DK) 2013-11-26 US disclosed
US-20130303770-A1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS H. LUNDBECK A/S (DK) 2013-11-14 US disclosed
US-20130303770-A1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS H. LUNDBECK A/S (DK) 2013-11-14 US disclosed
EP-2637704-A1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS H. Lundbeck A/S (DK) 2013-09-18 EP disclosed
WO-2012062319-A1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS H. LUNDBECK A/S (DK) 2012-05-18 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-20130303770-A1 RADIOLABELLED PHENYLIMIDAZOLE-BASED LIGANDS PDE12, PDE5A, PDE3A PDE10A 6/4885APOBEC3A 1174/4885CTDSP1 2538/4885

“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.