Sugi Predict

Sugi Predict / Compounds / SCHEMBL537750

SCHEMBL537750

SCHEMBL537750

c1ccc(CNc2nc3c4c(n[nH]c4n2)CCN3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ KCNH3 Q9ULD8 2/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ APP P05067 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HTR2A P28223 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
SCHEMBL537732 0.90 CETP (0.40) KCNH3PDE4BROCK1GAAAPP
SCHEMBL2812440 0.88 HSD17B10 (0.42) RAD52LMNAPKMKDM4EALDH1A1
SCHEMBL2813861 0.78 GRK6 (0.38) HTR2C
SCHEMBL2811941 0.73 CLPP (0.41) HTTLMNAGAAKDM4EALDH1A1
SCHEMBL538612 0.73 HTT (0.41) HTTLMNAGAAPKMAPP
SCHEMBL2810281 0.67 LTA4H (0.41) RAD52PKMKDM4EALDH1A1
SCHEMBL2809667 0.67 LTA4H (0.41) RAD52LMNAGAAPKMKDM4E
SCHEMBL3298289 0.67 KCNH3 (0.73) KCNH3RAD52LMNAGAAPKM
SCHEMBL8386400 0.67 ACHE (0.47) LMNAGAAL3MBTL1KDM4EALDH1A1
SCHEMBL13131478 0.67 CLPP (0.39) LMNAGAAKDM4EALDH1A1MAPT

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 2797/4885KCNH3 3658/4885PDE4B 754/4885

“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.