SCHEMBL2811032

SCHEMBL2811032

Cc1cccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.40
HRH1 P35367 3/20 0.38
HRH4 Q9H3N8 3/20 0.38
AKT1 P31749 2/20 0.37
MYLK Q15746 2/20 0.37
MAPK14 Q16539 2/20 0.37
HTR6 P50406 1/20 0.37
FFAR1 O14842 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
GPR6 P46095 1/20 0.35
CTSB P07858 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
SCHEMBL14405859 0.91 HRH4 (0.41) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2812914 0.90 CLPP (0.40) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2812078 0.89 CLPP (0.40) CLPPHRH1HRH4AKT1MYLK
SCHEMBL538195 0.89 MAPT (0.42) CLPPHRH1HRH4AKT1MYLK
SCHEMBL14405856 0.88 AKT1 (0.38) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2816737 0.88 ACHE (0.37) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2811109 0.88 SIGMAR1 (0.43) CLPPFFAR1ACHE
SCHEMBL2816646 0.87 CLPP (0.41) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2814442 0.86 CLPP (0.39) CLPPHRH1HRH4AKT1MYLK
SCHEMBL2808422 0.86 MRGPRX1 (0.40) HRH1HRH4AKT1MYLKMAPK14

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 2832/4885HRH1 2327/4885HRH4 1891/4885

“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.