SCHEMBL2813867

SCHEMBL2813867

Fc1ccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
GRK6 P43250 2/20 0.39
AURKA O14965 1/20 0.39
HRH1 P35367 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR7 P34969 1/20 0.38
ACHE P22303 1/20 0.37
CETP P11597 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
AKT1 P31749 1/20 0.36
MYLK Q15746 1/20 0.36
MAPK14 Q16539 1/20 0.36
CCR3 P51677 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
SCHEMBL2808422 0.91 MRGPRX1 (0.40) MRGPRX1HRH1HRH4ESR1ESR2
SCHEMBL2810525 0.91 MRGPRX1 (0.49) CLPPMRGPRX1HRH1HRH4ESR1
SCHEMBL2812078 0.91 CLPP (0.40) CLPPMRGPRX1GRK6HRH1HRH4
SCHEMBL2816666 0.90 KDM4E (0.41) CLPPMRGPRX1HRH1HRH4ESR1
SCHEMBL14405859 0.90 HRH4 (0.41) CLPPMRGPRX1HRH1HRH4ESR1
SCHEMBL2809363 0.89 GRK6 (0.42) GRK6MAPTCCR3
SCHEMBL2813934 0.88 CLPP (0.42) CLPPMRGPRX1HRH1HRH4MAPT
SCHEMBL2810268 0.88 CLPP (0.42) CLPPMRGPRX1HRH1HRH4MAPT
SCHEMBL2816451 0.88 CLPP (0.39) CLPPMRGPRX1GRK6HRH1HRH4
SCHEMBL2816646 0.87 CLPP (0.41) CLPPMRGPRX1HRH1HRH4ESR1

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 2832/4885MRGPRX1 2755/4885GRK6 2330/4885

“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.