SCHEMBL538194

SCHEMBL538194

Brc1cccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
CLPP Q16740 1/20 0.34
ESR2 Q92731 2/20 0.33
CETP P11597 1/20 0.33
OGA O60502 1/20 0.33
APP P05067 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ESR1 P03372 1/20 0.32
ADK P55263 1/20 0.32
DRD4 P21917 2/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL2816668 0.91 MRGPRX1 (0.39) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL2812918 0.90 MRGPRX1 (0.38) MAPTKDM4EALDH1A1GPR84SIGMAR1
SCHEMBL2811035 0.89 ACHE (0.37) KMT2AMAPTMRGPRX1CLPPESR2
SCHEMBL2812082 0.89 GPR84 (0.35) MAPTALDH1A1LMNAGPR84SIGMAR1
SCHEMBL2816649 0.88 MRGPRX1 (0.38) MAPTSIGMAR1MRGPRX1ESR2CETP
SCHEMBL2811115 0.87 MAPT (0.40) MAPTSIGMAR1CLPPDRD4
SCHEMBL2810531 0.86 MRGPRX1 (0.48) KMT2AMRGPRX1ESR2CETPOGA
SCHEMBL2808425 0.86 MRGPRX1 (0.39) SIGMAR1MRGPRX1ESR2CETPOGA
SCHEMBL2813871 0.85 MRGPRX1 (0.39) MAPTMRGPRX1ESR2CETPOGA
SCHEMBL2812211 0.85 OGA (0.43) SIGMAR1MRGPRX1OGA

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 4 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-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 KMT2A 2836/4885MAPT 2947/4885KDM4E 2749/4885

“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.