SCHEMBL2179280

SCHEMBL2179280

COc1ccc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N4CCN(C)CC4)c4ccccc4n3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
USP2 O75604 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL2179284 1.00 PDE10A (0.56) PDE10ATP53HTTALDH1A1KDM4E
SCHEMBL12408669 0.95 PDE10A (0.57) PDE10ATP53HTTALDH1A1KDM4E
SCHEMBL14300722 0.85 PDE10A (0.55) PDE10ATP53HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2179052 0.84 KDM4E (0.48) PDE10AALDH1A1KDM4ETSHRNPSR1
SCHEMBL2179117 0.84 PDE10A (0.73) PDE10AALDH1A1KDM4ETSHRNPSR1
SCHEMBL2179110 0.84 PDE10A (0.73) PDE10AALDH1A1KDM4ETSHRNPSR1
Hydrochloric Acid SCHEMBL2179746 0.83 PDE10A (0.72) PDE10AALDH1A1KDM4ETSHRNPSR1
Hydrochloric Acid SCHEMBL2179742 0.83 PDE10A (0.72) PDE10AALDH1A1KDM4ETSHRNPSR1
SCHEMBL2179351 0.83 ALDH1A1 (0.57) PDE10AHTTALDH1A1KDM4ETSHR
SCHEMBL2179347 0.83 ALDH1A1 (0.57) PDE10AHTTALDH1A1KDM4ETSHR

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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885TP53 4760/4885HTT 3952/4885

“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.