Sugi Predict

Sugi Predict / Compounds / SCHEMBL537803

SCHEMBL537803

SCHEMBL537803

COc1ccc(CN2CCCc3n[nH]c4nc(N5CCOCC5)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ PIK3CA P42336 3/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL2811863 0.94 MEN1 (0.44) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2809850 0.92 BRS3 (0.42) SMN1; SMN2MAPK1GAABRS3CYP2C9
SCHEMBL2810300 0.92 BRS3 (0.44) SMN1; SMN2MAPK1GAABRS3CYP2C9
SCHEMBL2808435 0.87 SIGMAR1 (0.48) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14405858 0.83 HSD17B10 (0.43) KMT2AMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2811719 0.83 GAA (0.41) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2814373 0.83 PIK3CA (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2809635 0.81 SIGMAR1 (0.50) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2814050 0.81 SIGMAR1 (0.50) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL537755 0.81 KDM4E (0.39) MAPTSMN1; SMN2ALDH1A1GAASRC

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 MEN1 1767/4885KMT2A 2836/4885MAPT 2947/4885

“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.