SCHEMBL6134316

SCHEMBL6134316

COc1ccc(-c2nc(N(C)C)ncc2-c2ccc(=O)n(C)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CASP1 P29466 6/20 0.37
CASP7 P55210 6/20 0.37
USP2 O75604 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 5/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
PDE2A O00408 2/20 0.37

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
SCHEMBL6134829 0.86 ADORA1 (0.46) HRH3ALDH1A1KDM4EMAPK1MAPT
SCHEMBL6133837 0.83 ALDH1A1 (0.53) HRH3TSHRALDH1A1MAPK1CASP1
SCHEMBL6133247 0.82 CASP1 (0.43) TSHRALDH1A1MAPK1CASP1CASP7
SCHEMBL6133650 0.79 ALDH1A1 (0.51) HRH3TSHRALDH1A1KDM4EMAPK1
SCHEMBL6133388 0.76 ADORA1 (0.57) KDM4EMAPK1MAPTL3MBTL1KMT2A
SCHEMBL6134037 0.74 RPS6KA3 (0.45) HRH3TSHRALDH1A1USP2CYP1A2
SCHEMBL6134870 0.74 ADORA1 (0.43) ALDH1A1KDM4EMAPK1MAPTL3MBTL1
SCHEMBL6133989 0.68 KMT2A (0.62) HRH3TSHRALDH1A1KDM4EMAPK1
SCHEMBL6133447 0.67 ADORA2A (0.60) HRH3TSHRMAPK1MAPTPDGFRB
SCHEMBL6134194 0.67 ADORA1 (0.43) TSHRALDH1A1USP2CYP1A2

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 HRH3 367/4885TSHR 1977/4885ALDH1A1 801/4885

“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.