SCHEMBL7325912

SCHEMBL7325912

O=C(Cl)c1ccc2[nH]nnc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.38
CD40LG P29965 1/20 0.38
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CLK2 P49760 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
PRKG1 Q13976 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
SGK2 Q9HBY8 1/20 0.30
STK17A Q9UEE5 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
SCHEMBL119640 0.84 TDP1 (0.44) ALDH1A1TSHR
Water SCHEMBL30938808 0.82 TDP1 (0.43) CD40CD40LGALDH1A1
SCHEMBL3726621 0.82 SLC2A1 (0.41) CD40CD40LGALDH1A1
SCHEMBL446291 0.82 MMP2 (0.42) CD40CD40LGTSHR
Ammonia Solution, Strong SCHEMBL6052079 0.82 TDP1 (0.43) CD40CD40LGALDH1A1
SCHEMBL8424370 0.82 TDP1 (0.43) CD40CD40LGALDH1A1
SCHEMBL9172322 0.81 MMP2 (0.41) CD40CD40LGTSHR
SCHEMBL10347628 0.81 TDP1 (0.42) CD40CD40LGALDH1A1
SCHEMBL6052059 0.81 PARP1 (0.39) CD40CD40LG
Silver SCHEMBL8424374 0.81 CD40 (0.38) CD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200063270-A1 BIOCIDAL-FUNCTIONALIZED CORROSION INHIBITORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-02-27 US claimed
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 WO disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
CN-107615144-B Liquid crystal display device and alignment film 夏普株式会社 2020-11-24 CN disclosed
US-20200063270-A1 BIOCIDAL-FUNCTIONALIZED CORROSION INHIBITORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-02-27 US disclosed
US-10545382-B2 Liquid crystal display device and alignment film SHARP KABUSHIKI KAISHA (JP) 2020-01-28 US disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180164616-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2018-06-14 US disclosed
US-20180164616-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2018-06-14 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
US-20180149927-A1 LIQUID CRYSTAL DISPLAY DEVICE AND ALIGNMENT FILM SHARP KABUSHIKI KAISHA (JP) 2018-05-31 US disclosed
US-20180149927-A1 LIQUID CRYSTAL DISPLAY DEVICE AND ALIGNMENT FILM SHARP KABUSHIKI KAISHA (JP) 2018-05-31 US disclosed
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 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 (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-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 CD40 2776/4885CD40LG 969/4885ALDH1A1 2654/4885
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CD40 2798/4885CD40LG 1860/4885ALDH1A1 1320/4885
US-20200063270-A1 BIOCIDAL-FUNCTIONALIZED CORROSION INHIBITORS SOD1, CAT, AOC1 CD40 4356/4885CD40LG 3050/4885ALDH1A1 214/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CD40 2798/4885CD40LG 1860/4885ALDH1A1 1320/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CD40 2798/4885CD40LG 1860/4885ALDH1A1 1320/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CD40 2798/4885CD40LG 1860/4885ALDH1A1 1320/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CD40 4485/4885CD40LG 4192/4885ALDH1A1 2794/4885

“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.