SCHEMBL9980488

SCHEMBL9980488

COc1ccc(Cn2c(=O)ccc3ncc(Br)cc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.56
PDE5A O76074 1/20 0.51
DCTPP1 Q9H773 2/20 0.46
PIK3CD O00329 2/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21608846 0.81 PIK3R1 (0.51) PDE1BPDE5ADCTPP1PIK3CDUSP2
SCHEMBL9980490 0.81 PDE5A (0.47) PDE1BPDE5ADCTPP1PIK3CDUSP2
SCHEMBL25241170 0.81 PDE1B (0.57) PDE1BPDE5AUSP2ALDH1A1CYP1A2
SCHEMBL24307080 0.80 PDE5A (0.65) PDE1BPDE5ADCTPP1ALDH1A1MAPK1
SCHEMBL31042159 0.80 PDE5A (0.65) PDE1BPDE5ADCTPP1ALDH1A1MAPK1
SCHEMBL27193449 0.79 PDE1B (0.66) PDE1BPIK3CDALDH1A1HPGDTSHR
SCHEMBL31533729 0.79 PDE1B (0.66) PDE1BPIK3CDALDH1A1HPGDTSHR
SCHEMBL24138327 0.79 PDE5A (0.54) PDE5AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL31138328 0.79 PDE5A (0.54) PDE5AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL7225918 0.78 MEN1 (0.70) ALDH1A1HPGDTSHRMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
EP-4219461-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2023-08-02 EP disclosed
WO-2022063094-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2022-03-31 WO disclosed
CN-113195467-A Naphthyridine and quinoline derivatives useful as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2021-07-30 CN disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013071264-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
EP-2575462-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Intellikine, LLC (US) 2013-04-10 EP disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PDE1B 718/4885PDE5A 326/4885DCTPP1 1570/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PDE1B 718/4885PDE5A 326/4885DCTPP1 1570/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PDE1B 718/4885PDE5A 326/4885DCTPP1 1570/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ PDE1B 3302/4885PDE5A 457/4885DCTPP1 3055/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE1B 986/4885PDE5A 1324/4885DCTPP1 1396/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 PDE1B 718/4885PDE5A 326/4885DCTPP1 1570/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PDE1B 576/4885PDE5A 1946/4885DCTPP1 695/4885

“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.