SCHEMBL3751342

SCHEMBL3751342

C#Cc1cnn(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
ACACB O00763 2/20 0.47
CREBBP Q92793 5/20 0.44
CYP19A1 P11511 4/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSD A5PKW4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL28402704 0.85 CYP3A4 (0.46) L3MBTL1ACACBHDAC8CYP11B1HSD17B10
SCHEMBL28398251 0.84 L3MBTL1 (0.51) L3MBTL1CYP11B1ALDH1A1
SCHEMBL16343259 0.83 L3MBTL1 (0.57) L3MBTL1ACACBCREBBPCYP19A1ADORA2A
SCHEMBL2629800 0.83 L3MBTL1 (0.57) L3MBTL1ACACBCREBBPCYP19A1CYP11B1
SCHEMBL3717208 0.80 L3MBTL1 (0.47) L3MBTL1CYP19A1ADORA2AADORA1ALDH1A1
SCHEMBL28396823 0.78 CREBBP (0.49) L3MBTL1CREBBPALDH1A1
SCHEMBL28397084 0.78 ACACB (0.52) L3MBTL1ACACBCREBBPCYP19A1ADORA2A
SCHEMBL11552754 0.74 L3MBTL1 (0.51) L3MBTL1ACACBCREBBPCYP19A1ADORA2A
SCHEMBL6264956 0.74 L3MBTL1 (0.65) L3MBTL1CREBBPCYP19A1ADORA2AADORA1
SCHEMBL10283891 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPCYP19A1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-107344940-A BTK inhibitor and application thereof 广东东阳光药业有限公司 2017-11-14 CN disclosed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
EP-1848704-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2007-10-31 EP disclosed
WO-2006084338-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2006-08-17 WO 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-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB L3MBTL1 3961/4885ACACB 1277/4885CREBBP 3703/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB L3MBTL1 3961/4885ACACB 1277/4885CREBBP 3703/4885

“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.