SCHEMBL17820783

SCHEMBL17820783

COc1ncc(F)cc1C#CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.48
▸ PTAFR P25105 1/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ HPGD P15428 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL30184392 0.75 GAA (0.53) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL25117916 0.75 GAA (0.53) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL12794752 0.73 PGK1 (0.43) PGK1RAB9ATDP1ALDH1A1KMT2A
SCHEMBL20796153 0.68 PGK1 (0.44) PGK1RAB9AHPGDNPSR1ALDH1A1
SCHEMBL29535731 0.68 PIK3CA (0.36) MAPT
SCHEMBL23152509 0.68 PIK3CA (0.36) MAPT
SCHEMBL1048385 0.68 HSD17B10 (0.40) PGK1RAB9AHPGDNPSR1TDP1
SCHEMBL13605787 0.67 PGK1 (0.50) PGK1TDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL12758949 0.67 PGK1 (0.45) PGK1HPGDALDH1A1KMT2ATSHR
SCHEMBL102302 0.67 HSD17B10 (0.54) PGK1RAB9AHTR1AALDH1A1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4420732-A2 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2024-08-28 — — EP disclosed
EP-3233863-B1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO LTD (KR) 2024-04-10 — — EP disclosed
EP-3674307-B1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-06-07 — — EP disclosed
EP-3674307-B1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-06-07 — — EP disclosed
CN-113135938-B Substituted macrocyclic tyrosine kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2022-06-14 — — CN disclosed
CN-113735881-A Macrocyclic compounds containing aminopyrazolopyrimidines, pharmaceutical compositions and uses thereof 正大天晴药业集团股份有限公司 2021-12-03 — — CN disclosed
CN-110945000-B Macrocyclic compounds containing aminopyrazolopyrimidines, pharmaceutical compositions and uses thereof 正大天晴药业集团股份有限公司 2021-09-03 — — CN disclosed
CN-113135938-A Substituted macrocyclic tyrosine kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2021-07-20 — — CN disclosed
US-20200291042-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2020-09-17 — — US disclosed
US-20200291042-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2020-09-17 — — US disclosed
CN-107207514-B Fused heteroaryl compounds and their use as TRK inhibitors 康联制药有限公司 2020-01-24 — — CN disclosed
WO-2019037761-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 正大天晴药业集团股份有限公司 2019-02-28 — — WO disclosed
EP-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 — — EP disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 — — US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 — — US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 — — US disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 — — WO disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 — — US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 — — US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 — — 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 (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-20200291042-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF MUSK, TK1, TYMP PGK1 393/4885PTAFR 193/4885RAB9A 4033/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 PGK1 1413/4885PTAFR 1015/4885RAB9A 2590/4885

“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.

Send feedback