SCHEMBL538195

SCHEMBL538195

Brc1cccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR84 Q9NQS5 1/20 0.39
HRH1 P35367 3/20 0.36
HRH4 Q9H3N8 3/20 0.36
APP P05067 1/20 0.36
AKT1 P31749 2/20 0.35
MYLK Q15746 2/20 0.35
MAPK14 Q16539 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
CLPP Q16740 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ESR2 Q92731 2/20 0.34
CETP P11597 1/20 0.34
ESR1 P03372 1/20 0.33
IGF1R P08069 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
SCHEMBL2816666 0.91 KDM4E (0.41) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL2812914 0.90 CLPP (0.40) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL2811032 0.89 CLPP (0.40) ALDH1A1KMT2AHRH1HRH4AKT1
SCHEMBL2812078 0.89 CLPP (0.40) ALDH1A1GPR84HRH1HRH4APP
SCHEMBL2816646 0.87 CLPP (0.41) MAPTHRH1HRH4AKT1MYLK
SCHEMBL2811109 0.86 SIGMAR1 (0.43) MAPTCLPP
SCHEMBL2808422 0.86 MRGPRX1 (0.40) HRH1HRH4AKT1MYLKMAPK14
SCHEMBL2810525 0.86 MRGPRX1 (0.49) KMT2AHRH1HRH4MRGPRX1CLPP
SCHEMBL14405859 0.85 HRH4 (0.41) LMNAHRH1HRH4AKT1MYLK
SCHEMBL2813867 0.85 CLPP (0.40) MAPTHRH1HRH4AKT1MYLK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
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 MAPT 2947/4885KDM4E 2749/4885ALDH1A1 924/4885

“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.