SCHEMBL2812914

SCHEMBL2812914

Clc1cccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CETP P11597 1/20 0.38
IGF1R P08069 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 2/20 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
SCHEMBL2810525 0.90 MRGPRX1 (0.49) CLPPMRGPRX1CETPHRH1HRH4
SCHEMBL2816646 0.90 CLPP (0.41) CLPPMRGPRX1SIGMAR1CETPHRH1
SCHEMBL538195 0.90 MAPT (0.42) CLPPMRGPRX1CETPIGF1RGPR84
SCHEMBL2812078 0.90 CLPP (0.40) CLPPMRGPRX1GPR84HRH1HRH4
SCHEMBL2811032 0.90 CLPP (0.40) CLPPMRGPRX1HRH1HRH4ALDH1A1
SCHEMBL2811109 0.87 SIGMAR1 (0.43) CLPPSIGMAR1MAPTFFAR1FFAR4
SCHEMBL14405856 0.87 AKT1 (0.38) CLPPMRGPRX1CETPHRH1HRH4
SCHEMBL2808422 0.87 MRGPRX1 (0.40) MRGPRX1SIGMAR1CETPHRH1HRH4
SCHEMBL2816666 0.86 KDM4E (0.41) CLPPMRGPRX1SIGMAR1CETPHRH1
SCHEMBL14405859 0.86 HRH4 (0.41) CLPPMRGPRX1SIGMAR1CETPHRH1

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 2832/4885MRGPRX1 2755/4885SIGMAR1 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.