SCHEMBL2809628

SCHEMBL2809628

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCCc5ccc(Cl)c(Cl)c5)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.38
OPRK1 P41145 4/20 0.37
MAPT P10636 3/20 0.37
NR1I3 Q14994 1/20 0.37
OPRD1 P41143 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2814449 0.93 ADORA3 (0.42) CLPPMAPTADORA3ADORA2AADORA1
SCHEMBL2810351 0.92 OPRK1 (0.41) CLPPOPRK1MAPTOPRD1ADORA3
SCHEMBL2812906 0.91 CLPP (0.40) CLPPOPRK1MAPTADORA3ADORA2A
SCHEMBL2812217 0.89 ADORA3 (0.44) CLPPMAPTADORA3ADORA2AADORA1
SCHEMBL2816708 0.89 ACP1 (0.41) CLPPOPRK1MAPTOPRD1ADORA3
SCHEMBL2810448 0.88 BCDIN3D (0.42) MAPTNR1I3BCDIN3DMEN1LMNA
SCHEMBL2813947 0.87 ACP1 (0.38) CLPPMAPTADORA3ADORA2AADORA1
SCHEMBL2808269 0.86 CLPP (0.48) CLPPMAPTMEN1TSHRKMT2A
SCHEMBL2814236 0.85 CLPP (0.39) CLPPMAPTLMNAGAATSHR
SCHEMBL13145454 0.84 CLPP (0.46) CLPPMEN1TSHRKMT2ASMN1; SMN2

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 CLPP 2832/4885OPRK1 3411/4885MAPT 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.