SCHEMBL2809527

SCHEMBL2809527

COc1ccc(CN2CCc3nn(C)c4nc(N5CCOCC5)nc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PDE1B Q01064 1/20 0.41
PIK3CA P42336 4/20 0.41
PIK3R1 P27986 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL2811678 0.90 CCNE2 (0.39) MAPTL3MBTL1SMN1; SMN2PDE10AMEN1
SCHEMBL2809514 0.90 HTR6 (0.46) L3MBTL1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL2812071 0.89 SMN1; SMN2 (0.43) MAPTL3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL538222 0.87 ALDH1A1 (0.42) MAPTL3MBTL1SMN1; SMN2PDE10AMEN1
SCHEMBL2810400 0.86 CFTR (0.46) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL2810425 0.85 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1CASP1KDM4E
SCHEMBL13145459 0.84 NPC1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL2815919 0.84 TSHR (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2809446 0.83 TSHR (0.38) L3MBTL1PDE10AALDH1A1CYP1A2CASP1
SCHEMBL2809762 0.82 POLB (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 7 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
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 MAPT 2947/4885L3MBTL1 4501/4885SMN1; SMN2 2524/4885

“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.