SCHEMBL2810384

SCHEMBL2810384

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCc5ccco5)nc2c34)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MAPT P10636 8/20 0.43
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
F2 P00734 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 4/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 3/20 0.40
CLPP Q16740 1/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL2808269 0.90 CLPP (0.48) MAPTKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2809645 0.89 EGFR (0.46) EGFRMAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL13145454 0.88 CLPP (0.46) KDM4EHSD17B10SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2814131 0.87 CLPP (0.45) KDM4ESMN1; SMN2ALDH1A1CLPPHTT
SCHEMBL2814449 0.86 ADORA3 (0.42) MAPTSMN1; SMN2ALDH1A1CLPP
SCHEMBL2811706 0.85 TUBB4A (0.44) MAPTKDM4EF2ALDH1A1NPSR1
SCHEMBL2808414 0.84 OPRK1 (0.42) KDM4EALDH1A1MEN1KMT2ACLPP
SCHEMBL2814236 0.84 CLPP (0.39) MAPTKDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL2809338 0.84 CLPP (0.39) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL2812190 0.84 ALDH1A1 (0.47) MAPTKDM4EHSD17B10SMN1; SMN2ALDH1A1

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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 EGFR 1322/4885MAPT 2947/4885KDM4E 2749/4885

“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.