Sugi Predict

Sugi Predict / Compounds / SCHEMBL538612

SCHEMBL538612

SCHEMBL538612

c1ccc(CNc2nc3c4c(n[nH]c4n2)CCN3c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ HRH2 P25021 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 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
SCHEMBL2812428 0.92 APP (0.42) HTTLMNAGAAALDH1A1PTGS2
SCHEMBL537678 0.91 HRH4 (0.42) HRH4HRH1HRH2HRH3GAA
SCHEMBL2809667 0.90 LTA4H (0.41) LMNAGAAALDH1A1PKMKDM4E
SCHEMBL2812318 0.87 MEN1 (0.41) HTTPOLBHRH4HRH3LMNA
SCHEMBL2810436 0.84 GRK6 (0.40) HRH4HRH1ADORA1
SCHEMBL13131723 0.84 HTR7 (0.39) HTTHRH1LMNAALDH1A1SMN1; SMN2
SCHEMBL2812926 0.84 KDM4E (0.38) HTTPOLBHRH4HRH1LMNA
SCHEMBL2811941 0.83 CLPP (0.41) HTTHRH4HRH1HRH2HRH3
SCHEMBL2814646 0.83 MEN1 (0.51) LMNATSHR
SCHEMBL2811694 0.79 GAA (0.50) HTTLMNAGAAALDH1A1SMN1; SMN2

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
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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 — — EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO 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 HTT 2797/4885POLB 345/4885HRH4 1891/4885

“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.