SCHEMBL22553629

SCHEMBL22553629

Nc1nc(Cl)c(I)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHUK O15111 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1357635 0.86 DPP4 (0.33) DPP4ADORA2AADORA1
SCHEMBL392017 0.82 TLR8 (0.42) DPP4ADORA2AADORA1LMNAHSP90AA1
SCHEMBL11858019 0.82 CYP1A2 (0.32) DPP4
SCHEMBL21801328 0.78 TLR8 (0.33)
SCHEMBL23998125 0.77 KDM4E (0.32) HSP90AA1HSP90AB1
SCHEMBL30322462 0.77 KDM4E (0.32) HSP90AA1HSP90AB1
SCHEMBL1356545 0.77 HEXA (0.42) LMNAHSP90AA1HSP90AB1TDP1
SCHEMBL14975747 0.73 ALDH1A1 (0.47)
SCHEMBL653958 0.73 MEN1 (0.44) DPP4ADORA2AADORA1NPC1RAB9A
SCHEMBL5261298 0.73 TDP1 (0.42) DPP4ADORA2AADORA1NPC1RAB9A

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230271964-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-08-31 US disclosed
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-04-18 US disclosed
CN-112279852-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2023-01-17 CN disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
CN-112279852-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-12-08 US disclosed
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-12-08 US disclosed
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
CN-111635408-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-09-08 CN disclosed
CN-111601809-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-08-28 CN 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 (7 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 DPP4 3615/4885ADORA2A 1/4885ADORA1 2/4885
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B DPP4 2693/4885ADORA2A 1/4885ADORA1 4/4885
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B DPP4 2693/4885ADORA2A 1/4885ADORA1 4/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DPP4 1537/4885ADORA2A 1622/4885ADORA1 1287/4885
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B DPP4 2693/4885ADORA2A 1/4885ADORA1 4/4885
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B DPP4 2693/4885ADORA2A 1/4885ADORA1 4/4885
US-20230271964-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 DPP4 1539/4885ADORA2A 1/4885ADORA1 2/4885

“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.