SCHEMBL17229264

SCHEMBL17229264

CCc1nc2cc(CC(C)C)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
HDAC6 Q9UBN7 6/20 0.39
TRPV1 Q8NER1 4/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2756574 0.85 NPC1 (0.66) NPC1RAB9AGAAMAPK1HSD17B10
SCHEMBL22455603 0.82 HDAC6 (0.43) NPC1RAB9AGAAHSD17B10LOXL2
SCHEMBL8230468 0.81 HSD17B10 (0.66) NPC1RAB9AGAAHSD17B10GABRA1
SCHEMBL508164 0.80 LOXL2 (0.49) NPC1RAB9AGAAMAPK1HSD17B10
SCHEMBL20178805 0.79 HSD17B10 (0.44) NPC1RAB9AMAPK1HSD17B10LOXL2
SCHEMBL13486440 0.79 RAB9A (0.51) NPC1RAB9AGAAHSD17B10SMN1; SMN2
SCHEMBL12870512 0.78 RAB9A (0.45) NPC1RAB9AGAAMAPK1GABRA1
SCHEMBL25544116 0.78 RAB9A (0.59) NPC1RAB9AGAAMAPK1HSD17B10
SCHEMBL23896747 0.77 HSD17B10 (0.42) NPC1RAB9AMAPK1HSD17B10HDAC6
SCHEMBL24906049 0.76 KDM4E (0.62) NPC1RAB9AGAAHDAC6SMN1; SMN2

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 NPC1 2305/4885RAB9A 3217/4885GAA 2361/4885

“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.