SCHEMBL19948855

SCHEMBL19948855

Cc1nnc(-c2ccc(CBr)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
NPC1 O15118 10/20 0.43
RAB9A P51151 10/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
POLB P06746 2/20 0.43
ALOX12 P18054 1/20 0.43
AOC3 Q16853 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
PSEN1 P49768 1/20 0.39

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
SCHEMBL14804393 0.84 NPC1 (0.56) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8429484 0.83 NOTUM (0.49) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9060124 0.81 GPR84 (0.47) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25975967 0.81 AOC3 (0.49) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8714707 0.81 BRD4 (0.38) NPC1RAB9ASMN1; SMN2TSHRNOTUM
Hydrochloric Acid SCHEMBL25430361 0.80 AOC3 (0.48) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12844628 0.80 MAPT (0.47) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11571830 0.79 ALOX12 (0.51) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL12776087 0.79 PSEN1 (0.43) GPR84NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8246436 0.79 KDM4E (0.42) GPR84NPC1RAB9ASMN1; SMN2KMT2A

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 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 GPR84 1866/4885NPC1 1350/4885RAB9A 3230/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 GPR84 2091/4885NPC1 1283/4885RAB9A 3441/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 GPR84 2091/4885NPC1 1283/4885RAB9A 3441/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 GPR84 1389/4885NPC1 885/4885RAB9A 3127/4885

“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.