SCHEMBL537679

SCHEMBL537679

c1ccc(CCNc2nc3c4c(n2)N(c2ccccc2)CCC4NN3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.40
ADORA1 P30542 3/20 0.40
CETP P11597 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
APP P05067 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
HRH4 Q9H3N8 4/20 0.38
HRH1 P35367 3/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ROCK1 Q13464 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 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
SCHEMBL2812923 0.93 ESR2 (0.47) ADORA1ESR1ESR2MRGPRX1ADORA3
SCHEMBL2810442 0.93 HTR7 (0.38) OGAADORA1CETPESR1ESR2
SCHEMBL538613 0.91 POLB (0.38) ADORA1APPHRH4HRH1ADORA2A
SCHEMBL2809671 0.85 OGA (0.40) OGA
SCHEMBL2812432 0.85 APP (0.40) CETPAPPMRGPRX1
SCHEMBL2814652 0.84 MEN1 (0.48) HTR2AHTR7HTR2BHTR6
SCHEMBL2812321 0.82 ACHE (0.38) HRH4HRH3ROCK2
SCHEMBL2808425 0.82 MRGPRX1 (0.39) OGAADORA1CETPESR1ESR2
SCHEMBL2810531 0.82 MRGPRX1 (0.48) OGACETPESR1ESR2MRGPRX1
SCHEMBL2816668 0.81 MRGPRX1 (0.39) OGACETPESR1ESR2MRGPRX1

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 OGA 3938/4885ADORA1 869/4885CETP 3825/4885

“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.