SCHEMBL538336

SCHEMBL538336

COc1ccc(CN2CCC3NNc4nc(N5CCN(c6ccncc6)CC5)nc2c43)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
F10 P00742 3/20 0.35
DNMT3A Q9Y6K1 2/20 0.35
MAPK1 P28482 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
PKM P14618 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2811869 0.88 MAPT (0.43) MAPTL3MBTL1KMT2ARAB9AALDH1A1
SCHEMBL2814053 0.86 SIGMAR1 (0.48) KMT2ARAB9AALDH1A1GAADNMT3A
SCHEMBL2809639 0.86 SIGMAR1 (0.48) KMT2ARAB9AALDH1A1GAADNMT3A
SCHEMBL2810498 0.83 DNMT3A (0.44) MAPTKMT2AALDH1A1GAADNMT3A
SCHEMBL2812365 0.82 DRD4 (0.39) MAPTALDH1A1GAADNMT3ASMN1; SMN2
SCHEMBL2810802 0.80 CASP1 (0.43) MAPTALDH1A1GAAHTTLMNA
SCHEMBL537858 0.79 PTGIR (0.39) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL2811978 0.79 JAK2 (0.45) MAPTL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL2813108 0.78 NTSR1 (0.43) MAPK1
SCHEMBL2809650 0.77 ALDH1A1 (0.40) MAPTKMT2AALDH1A1MEN1LMNA

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 MAPT 2947/4885L3MBTL1 4501/4885KMT2A 2836/4885

“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.