SCHEMBL19948875

SCHEMBL19948875

COC(=O)c1ncc(CBr)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
RAF1 P04049 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES1 P23141 1/20 0.37
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5954047 0.87 CES1 (0.39) ALDH1A1KMT2AMAPK1CYP4F2CYP4A11
SCHEMBL1806521 0.83 SMN1; SMN2 (0.45) ALDH1A1KMT2AMAPK1CYP4F2CYP4A11
SCHEMBL127464 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL17682276 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL26910769 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL7374226 0.77 HCAR2 (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12766570 0.76 MAPK1 (0.43) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL24958731 0.73 MAPK1 (0.44) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL130301 0.73 MAPK1 (0.44) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL25267530 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1KDM4EL3MBTL1

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 16 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
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 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 ALDH1A1 119/4885KMT2A 2482/4885MAPK1 4661/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ALDH1A1 367/4885KMT2A 2369/4885MAPK1 4424/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ALDH1A1 367/4885KMT2A 2369/4885MAPK1 4424/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885KMT2A 3055/4885MAPK1 4119/4885

“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.