SCHEMBL16343259

SCHEMBL16343259

O=[C]c1cnn(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
ACACB O00763 2/20 0.50
CREBBP Q92793 4/20 0.48
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP19A1 P11511 1/20 0.43
PSD A5PKW4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
SCD O00767 2/20 0.41
SCD5 Q86SK9 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ITK Q08881 1/20 0.40
KLKB1 P03952 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
SCHEMBL948967 0.83 ACACB (0.42) L3MBTL1ACACBPOLBHSD17B10ADORA2A
SCHEMBL2629800 0.83 L3MBTL1 (0.57) L3MBTL1ACACBCREBBPCYP19A1SCD
SCHEMBL3751342 0.83 L3MBTL1 (0.57) L3MBTL1ACACBCREBBPPOLBTDP1
SCHEMBL28397084 0.78 ACACB (0.52) L3MBTL1ACACBCREBBPPOLBTDP1
SCHEMBL16343881 0.74 TAS2R8 (0.34) L3MBTL1ACACB
SCHEMBL6264956 0.74 L3MBTL1 (0.65) L3MBTL1CREBBPPOLBTDP1CYP19A1
SCHEMBL27259632 0.73 CYP3A4 (0.55) L3MBTL1ACACBCREBBPPOLBTDP1
SCHEMBL10283891 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL2413457 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL950986 0.73 MAPT (0.67) L3MBTL1CREBBPPOLBTDP1HDAC3

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
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 US disclosed
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-01-08 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-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 L3MBTL1 1564/4885ACACB 3004/4885CREBBP 837/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 L3MBTL1 1564/4885ACACB 3004/4885CREBBP 837/4885

“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.