SCHEMBL13034825

SCHEMBL13034825

Cc1nc2cc(CC(C)C)ccc2n1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
NPC1 O15118 9/20 0.54
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL13034826 0.87 KDM4E (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL464392 0.81 MAPT (0.59) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL553989 0.80 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL29268167 0.80 RAB9A (0.57) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL3597739 0.80 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL29989145 0.80 RAB9A (0.57) RAB9ANPC1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11372370 0.79 RAB9A (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL19068762 0.79 MAPT (0.56) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL29989095 0.76 RAB9A (0.52) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL29268059 0.76 RAB9A (0.52) RAB9ANPC1MAPTKDM4EALDH1A1

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 5 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
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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 (2 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 RAB9A 3217/4885NPC1 2305/4885MAPT 44/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 RAB9A 1965/4885NPC1 1606/4885MAPT 1863/4885

“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.