Sugi Predict

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SCHEMBL537678

SCHEMBL537678

c1ccc(CCNc2nc3c4c(n[nH]c4n2)CCN3c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ ADORA1 P30542 1/20 0.40
▸ CETP P11597 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ OGA O60502 2/20 0.39
▸ APP P05067 1/20 0.39
▸ MRGPRX1 Q96LB2 1/20 0.39
▸ ROCK1 Q13464 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL2810436 0.93 GRK6 (0.40) HRH4HRH1ADORA1CETPESR1
SCHEMBL538612 0.91 HTT (0.41) HRH4HRH1ADORA1APPHRH2
SCHEMBL13131723 0.84 HTR7 (0.39) HRH1HTR2AHTR7HTR6TMEM97
SCHEMBL2809667 0.84 LTA4H (0.41) OGAKDM4EALDH1A1GAAMKNK1
SCHEMBL2812428 0.84 APP (0.42) APPMRGPRX1KDM4EALDH1A1GAA
SCHEMBL2814646 0.83 MEN1 (0.51) HTR2AHTR7HTR6HTR1ADRD2
SCHEMBL2812318 0.81 MEN1 (0.41) HRH4SIGMAR1HRH3KDM4EALDH1A1
SCHEMBL2808422 0.81 MRGPRX1 (0.40) HRH4HRH1ADORA1CETPESR1
SCHEMBL2810525 0.81 MRGPRX1 (0.49) HRH4HRH1CETPESR1ESR2
SCHEMBL2812926 0.80 KDM4E (0.38) HRH4HRH1APPSLC6A2KDM4E

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 9 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
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 HRH4 1891/4885HRH1 2327/4885ADORA1 869/4885

“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.