SCHEMBL2176503

SCHEMBL2176503

COc1ccc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.60
FLT3 P36888 2/20 0.43
MAP3K11 Q16584 2/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KIT P10721 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL2176506 1.00 PDE10A (0.60) PDE10AFLT3MAP3K11ADORA2AALDH1A1
SCHEMBL2179110 0.87 PDE10A (0.73) PDE10AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2179117 0.87 PDE10A (0.73) PDE10AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2178420 0.86 PDE10A (0.66) PDE10AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2178421 0.86 PDE10A (0.66) PDE10AALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL2179746 0.86 PDE10A (0.72) PDE10AALDH1A1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL2179742 0.86 PDE10A (0.72) PDE10AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL12408660 0.82 PDE10A (0.63) PDE10AALDH1A1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL2181017 0.81 PDE10A (0.62) PDE10AALDH1A1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL2181021 0.81 PDE10A (0.62) PDE10AALDH1A1SMN1; SMN2LMNAGAA

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 2 patents. 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
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 1/4885FLT3 1351/4885MAP3K11 1140/4885

“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.