SCHEMBL537754

SCHEMBL537754

COc1ccc(CN2CCC3NNc4nc(Nc5ccc(N6CCN(C(=O)OCc7ccccc7)CC6)cc5)nc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
GRIN2B Q13224 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
KDM1A O60341 1/20 0.39
SYK P43405 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
TLR9 Q9NR96 1/20 0.38
MMP13 P45452 1/20 0.38
CHRM4 P08173 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
SCHEMBL2811978 0.85 JAK2 (0.45) SMN1; SMN2ALDH1A1MAPTL3MBTL1KDM1A
SCHEMBL2813447 0.84 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL537753 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MMP1MMP3MMP7
SCHEMBL2813939 0.78 PRKAA2 (0.39) SMN1; SMN2ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL537584 0.78 ACHE (0.45) MAPTL3MBTL1KMT2AMEN1
SCHEMBL2810273 0.75 ADORA3 (0.41) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2813941 0.75 ADORA3 (0.41) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2814053 0.73 SIGMAR1 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2809639 0.73 SIGMAR1 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2814064 0.73 PDE5A (0.40)

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 4 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-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 SMN1; SMN2 2524/4885ALDH1A1 924/4885MMP1 4717/4885

“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.