SCHEMBL2809338

SCHEMBL2809338

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCC(C)O)nc2c34)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.39
GBA1 P04062 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
FLT3 P36888 1/20 0.37
CDK1 P06493 2/20 0.37
CDK2 P24941 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CCNE2 O96020 1/20 0.35

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 0.89 CLPP (0.48) CLPPSIGMAR1HRH1HRH4KDM4E
SCHEMBL2816716 0.88 CCNE2 (0.37) GBA1CDK2HRH1HRH4MAPT
SCHEMBL2814449 0.87 ADORA3 (0.42) CLPPSIGMAR1ADRB2ADRB1ADRB3
SCHEMBL13145454 0.87 CLPP (0.46) CLPPSIGMAR1HRH1HRH4KDM4E
SCHEMBL2814131 0.86 CLPP (0.45) CLPPSIGMAR1HRH1HRH4KDM4E
SCHEMBL2808414 0.85 OPRK1 (0.42) CLPPSIGMAR1HRH1HRH4KDM4E
SCHEMBL2814236 0.84 CLPP (0.39) CLPPSIGMAR1HRH1HRH4KDM4E
SCHEMBL2812368 0.84 CNR2 (0.37) CLPPSIGMAR1KDM4EMAPTKMT2A
SCHEMBL2813905 0.84 ACHE (0.40) CLPPKDM4EMAPTKMT2ACNR2
SCHEMBL2810384 0.84 EGFR (0.44) CLPPKDM4EMAPTKMT2AALDH1A1

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 CLPP 2832/4885GBA1 2148/4885SIGMAR1 4535/4885

“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.