SCHEMBL2809963

SCHEMBL2809963

CSc1nc2c3c(n1)N(C)NC3CCN2Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.34
SRC P12931 2/20 0.33
PPARG P37231 2/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPY5R Q15761 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SLC6A2 P23975 1/20 0.32
CACNA2D1 P54289 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL537988 0.89 ALDH1A1 (0.34) KDM4EALDH1A1MAPTSRCPPARG
SCHEMBL537664 0.87 PTGIR (0.39) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL538466 0.81 SIGMAR1 (0.41) KDM4EALDH1A1MAPTACHE
SCHEMBL2812798 0.77 ACHE (0.46) ACHE
SCHEMBL2812073 0.74 DNMT3A (0.43) ALDH1A1MAPTSMN1; SMN2TSHRNPSR1
SCHEMBL537723 0.72 SIGMAR1 (0.40) KDM4EALDH1A1MAPTACHE
SCHEMBL2809433 0.71 CXCR3 (0.38) KDM4EALDH1A1MAPTACHE
SCHEMBL2810912 0.71 ADORA3 (0.42) KDM4EALDH1A1MAPTACHESMN1; SMN2
SCHEMBL2812074 0.70 ACHE (0.39) MAPTACHESMN1; SMN2GAASLC6A2
SCHEMBL2811683 0.70 PTGIR (0.40) KDM4EALDH1A1SMN1; SMN2NPY5RTSHR

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 KDM4E 2749/4885ALDH1A1 924/4885MAPT 2947/4885

“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.