SCHEMBL2816451

SCHEMBL2816451

Fc1ccccc1CCNc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.39
GRK6 P43250 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TYRO3 Q06418 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
AKT1 P31749 1/20 0.33
MYLK Q15746 1/20 0.33
MAPK14 Q16539 1/20 0.33
BRS3 P32247 1/20 0.33

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
SCHEMBL2814261 0.90 CLPP (0.39) CLPPGPR84HRH1HRH4TRPV1
SCHEMBL2814442 0.89 CLPP (0.39) CLPPHRH1HRH4KDM4EMAPT
SCHEMBL2813867 0.88 CLPP (0.40) CLPPGRK6HRH1HRH4MAPT
SCHEMBL2813041 0.86 HTR1A (0.40) GRK6TRPV1GAAFFAR1
SCHEMBL2812078 0.86 CLPP (0.40) CLPPGRK6GPR84HRH1HRH4
SCHEMBL2811941 0.85 CLPP (0.41) CLPPHRH1HRH4SMN1; SMN2KDM4E
SCHEMBL2810525 0.85 MRGPRX1 (0.49) CLPPHRH1HRH4MRGPRX1
SCHEMBL2808422 0.85 MRGPRX1 (0.40) HRH1HRH4MRGPRX1AKT1MYLK
SCHEMBL2816666 0.84 KDM4E (0.41) CLPPHRH1HRH4KDM4EMAPT
SCHEMBL14405859 0.84 HRH4 (0.41) CLPPHRH1HRH4MRGPRX1AKT1

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 2832/4885GRK6 2330/4885GPR84 3626/4885

“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.