SCHEMBL2814728

SCHEMBL2814728

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCCCN5CCCC5=O)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYRO3 Q06418 3/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 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
SCHEMBL2809482 0.90 SMN1; SMN2 (0.45) RCE1MAPTGAAHSD17B10SMN1; SMN2
SCHEMBL2814449 0.85 ADORA3 (0.42) MAPTSMN1; SMN2ALDH1A1ADORA1CLPP
SCHEMBL2808269 0.84 CLPP (0.48) MAPTHSD17B10SMN1; SMN2TYRO3ALDH1A1
SCHEMBL2810351 0.83 OPRK1 (0.41) MAPTGAASMN1; SMN2KMT2ATSHR
SCHEMBL2814236 0.83 CLPP (0.39) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL2813905 0.83 ACHE (0.40) MAPTSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL2812217 0.82 ADORA3 (0.44) MAPTHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2812906 0.82 CLPP (0.40) MAPTGAASMN1; SMN2KDM4EHPGD
SCHEMBL13145454 0.82 CLPP (0.46) HSD17B10SMN1; SMN2TYRO3ALDH1A1KDM4E
SCHEMBL2812306 0.82 LMNA (0.46) MAPTGAAHSD17B10SMN1; 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 RCE1 1098/4885MAPT 2947/4885GAA 1908/4885

“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.