SCHEMBL19948883

SCHEMBL19948883

BrCc1cnn(Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
CREBBP Q92793 4/20 0.47
TSHR P16473 2/20 0.46
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 4/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MPO P05164 2/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PSD A5PKW4 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 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
SCHEMBL2413457 0.83 L3MBTL1 (0.62) L3MBTL1CREBBPTSHRCYP19A1ADORA2A
SCHEMBL9908393 0.81 L3MBTL1 (0.61) L3MBTL1CREBBPALDH1A1CYP19A1ADORA2A
SCHEMBL10085530 0.81 L3MBTL1 (0.61) L3MBTL1CREBBPCYP19A1ADORA2AADORA1
Hydrochloric Acid SCHEMBL3763491 0.81 L3MBTL1 (0.61) L3MBTL1CREBBPTSHRCYP19A1ADORA2A
SCHEMBL1244019 0.81 L3MBTL1 (0.61) L3MBTL1CREBBPTSHRCYP19A1ADORA2A
SCHEMBL31420605 0.80 L3MBTL1 (0.59) L3MBTL1CREBBPCYP19A1ADORA2AADORA1
Hydrochloric Acid SCHEMBL21492606 0.80 L3MBTL1 (0.59) L3MBTL1CREBBPCYP19A1ADORA2AADORA1
SCHEMBL671242 0.79 TSHR (0.63) L3MBTL1CREBBPTSHRALDH1A1CYP19A1
SCHEMBL31420829 0.79 L3MBTL1 (0.57) L3MBTL1CREBBPCYP19A1ADORA2AADORA1
SCHEMBL13181030 0.79 L3MBTL1 (0.57) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234656-B Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2023-02-28 CN disclosed
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 US disclosed
US-11174261-B2 2021-11-16 US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 US disclosed
CN-110402249-A Extracellular nucleotides enzyme inhibitor and its application method CALITHERA BIOSCIENCES INC 2019-11-01 CN disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 EP disclosed
CN-110234656-A Extracellular nucleotides enzyme inhibitor and its application method 卡利泰拉生物科技公司 2019-09-13 CN disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 WO disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 WO disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 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 (10 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 L3MBTL1 4421/4885CREBBP 3037/4885TSHR 2898/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 L3MBTL1 4479/4885CREBBP 3281/4885TSHR 2768/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 L3MBTL1 4479/4885CREBBP 3281/4885TSHR 2768/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885CREBBP 3222/4885TSHR 2756/4885

“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.