Sugi Predict

Sugi Predict / Compounds / SCHEMBL537753

SCHEMBL537753

SCHEMBL537753

COc1ccc(CN2CCc3n[nH]c4nc(Nc5ccc(N6CCN(C(=O)OCc7ccccc7)CC6)cc5)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 7/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ STAT6 P42226 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 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
SCHEMBL2811970 0.84 JAK2 (0.48) ALDH1A1SMN1; SMN2MAPTL3MBTL1STAT6
SCHEMBL2813444 0.83 AXL (0.43) ALDH1A1SMN1; SMN2MAPTSTAT6KMT2A
SCHEMBL537754 0.80 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL537583 0.78 CLPP (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL2813933 0.78 STAT6 (0.43) ALDH1A1SMN1; SMN2MAPTL3MBTL1STAT6
SCHEMBL14405858 0.77 HSD17B10 (0.43) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL2813918 0.76 MEN1 (0.48) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL2813934 0.75 CLPP (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL2810268 0.75 CLPP (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL2809635 0.74 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AHSD17B10

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 ALDH1A1 924/4885SMN1; SMN2 2524/4885MAPT 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.