SCHEMBL6134067

SCHEMBL6134067

COc1ccccc1-c1nc(N)ncc1-c1ccc(=O)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA1 P30542 4/20 0.49
LRRK2 Q5S007 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
HSD17B10 Q99714 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL6134714 0.88 PDE4A (0.42) ADORA2AADORA1LRRK2ALDH1A1MAPT
SCHEMBL6133466 0.84 ADORA2A (0.41) ADORA2AADORA1ALDH1A1LMNADCUN1D1
SCHEMBL6134476 0.82 CYP1A2 (0.40) ADORA2AADORA1ALDH1A1HSD17B10DCUN1D1
SCHEMBL6133656 0.82 PDE4A (0.62) ADORA2AADORA1MAPTGAAPDE4A
SCHEMBL6133302 0.80 CYP1A2 (0.54) ADORA2AADORA1
SCHEMBL6133724 0.80 KMT2A (0.64) ADORA2AADORA1ALDH1A1MAPTNPSR1
SCHEMBL6133660 0.79 PDE4A (0.49) ADORA2AADORA1ALDH1A1MAPTNPSR1
SCHEMBL6134308 0.79 ADORA2A (0.61) ADORA2AADORA1MAPTLMNASMN1; SMN2
SCHEMBL6134495 0.78 ADORA2A (0.48) ADORA2AADORA1LRRK2ALDH1A1MAPT
SCHEMBL6134600 0.78 FGFR1 (0.42) ADORA2AADORA1LMNAPDE3BPDE3A

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885LRRK2 225/4885

“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.