SCHEMBL18122018

SCHEMBL18122018

Cc1cncc(-c2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
POLB P06746 1/20 0.64
HPGDS O60760 2/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
COMT P21964 1/20 0.48
MELK Q14680 1/20 0.47
ALK Q9UM73 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL17279990 0.89 RAB9A (0.75) RAB9APOLBHPGDSALDH1A1CYP1A2
SCHEMBL17279793 0.83 RAB9A (0.72) RAB9APOLBHPGDSALDH1A1CYP1A2
SCHEMBL15006259 0.82 RAB9A (0.70) RAB9APOLBHPGDSALOX15L3MBTL1
SCHEMBL21466398 0.81 RAB9A (0.58) RAB9APOLBHPGDSCYP11B1CYP11B2
SCHEMBL18120003 0.81 RAB9A (0.58) RAB9APOLBHPGDSCYP11B1CYP11B2
SCHEMBL19199562 0.81 RAB9A (0.58) RAB9APOLBHPGDSCYP11B1CYP11B2
SCHEMBL7395528 0.80 RAB9A (0.79) RAB9APOLBHPGDSALOX15L3MBTL1
SCHEMBL1230353 0.79 RAB9A (1.00) RAB9APOLBHPGDSALDH1A1CYP1A2
SCHEMBL10358677 0.79 RAB9A (0.70) RAB9APOLBHPGDSALDH1A1ALOX15
SCHEMBL17279811 0.78 RAB9A (0.64) RAB9APOLBHPGDSALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136403-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
US-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2016-10-06 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-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ZC3HAV1, HAVCR2, SLC10A1 RAB9A 1138/4885POLB 663/4885HPGDS 1788/4885

“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.