SCHEMBL17229277

SCHEMBL17229277

CCc1nc2cc(CC(C)C)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
AAK1 Q2M2I8 1/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GRK6 P43250 1/20 0.43
POLB P06746 2/20 0.40
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL12870504 0.90 GAA (0.49) GAAAAK1MAPTSMN1; SMN2RAB9A
SCHEMBL10224642 0.85 GAA (0.69) GAAMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL7472281 0.81 GAA (0.68) GAAMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL8201185 0.81 L3MBTL1 (0.49) GAAMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL13486444 0.79 MAPT (0.51) GAAAAK1MAPTSMN1; SMN2RAB9A
SCHEMBL22513943 0.79 RAB9A (0.48) GAAAAK1MAPTSMN1; SMN2RAB9A
SCHEMBL24476911 0.79 SMN1; SMN2 (0.49) GAAAAK1MAPTSMN1; SMN2RAB9A
SCHEMBL22455584 0.78 NPC1 (0.50) GAAAAK1RAB9AMEN1KMT2A
SCHEMBL13486430 0.77 FAAH (0.44) GAAAAK1MAPTSMN1; SMN2RAB9A
SCHEMBL11324885 0.77 GAA (0.59) GAAMAPTSMN1; SMN2RAB9AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH GAA 2361/4885AAK1 1654/4885MAPT 44/4885

“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.