SCHEMBL2816646

SCHEMBL2816646

Clc1ccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 2/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
HTT P42858 1/20 0.39
ITGAL P20701 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
AKT1 P31749 2/20 0.36
MYLK Q15746 2/20 0.36
MAPK14 Q16539 2/20 0.36
CETP P11597 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
STAT6 P42226 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL14405856 0.92 AKT1 (0.38) CLPPMAPTMRGPRX1HTTITGAL
SCHEMBL2812914 0.90 CLPP (0.40) CLPPSIGMAR1MAPTMRGPRX1TRPV1
SCHEMBL2810525 0.90 MRGPRX1 (0.49) CLPPMRGPRX1HRH1HRH4CETP
SCHEMBL2808422 0.88 MRGPRX1 (0.40) SIGMAR1MRGPRX1HRH1HRH4AKT1
SCHEMBL538195 0.87 MAPT (0.42) CLPPMAPTMRGPRX1HRH1HRH4
SCHEMBL2812078 0.87 CLPP (0.40) CLPPMRGPRX1HRH1HRH4AKT1
SCHEMBL2811032 0.87 CLPP (0.40) CLPPMRGPRX1HTTHRH1HRH4
SCHEMBL2816666 0.87 KDM4E (0.41) CLPPSIGMAR1MAPTMRGPRX1HRH1
SCHEMBL2814261 0.87 CLPP (0.39) CLPPSIGMAR1MRGPRX1TRPV1HRH1
SCHEMBL14405859 0.87 HRH4 (0.41) CLPPSIGMAR1MRGPRX1HTTHRH1

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 2832/4885SIGMAR1 4535/4885MAPT 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.