SCHEMBL2730005

SCHEMBL2730005

NC(=O)c1ccc(-c2ccc(CO)cc2)n2n[c]nc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
MAPK9 P45984 1/20 0.35
DYRK1A Q13627 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MAP2K1 Q02750 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
FYN P06241 9/20 0.34
NTRK1 P04629 3/20 0.32
PIM1 P11309 3/20 0.32
ACVR1 Q04771 2/20 0.32
TSHR P16473 1/20 0.31
PTGS2 P35354 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
SCHEMBL3262248 0.90 MAP2K1 (0.34) PARP1MAP2K1CLK4DYRK1BFYN
SCHEMBL2730821 0.89 MAP2K1 (0.34) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL3200519 0.85 MAP2K1 (0.36) PARP1CHUKDYRK1AMAP2K1CLK4
SCHEMBL3601959 0.85 MAP2K1 (0.36) PARP1MAP2K1CLK4DYRK1BNTRK1
SCHEMBL2363030 0.84 NTRK1 (0.43) DYRK1AMAP2K1CLK4DYRK1BNTRK1
SCHEMBL3082604 0.84 MAP2K1 (0.49) PARP1IKBKBMAP2K1CLK4DYRK1B
SCHEMBL15654034 0.83 PARP1 (0.45) PARP1
SCHEMBL2365481 0.82 MAP2K1 (0.34) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL15654352 0.82 JAK2 (0.42)
SCHEMBL15654312 0.82 JAK2 (0.43) PARP1IRAK4MAP2K1CLK4DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12042498-B2 Compound useful for the treatment of degenerative and inflammatory diseases ALFASIGMA S.P.A. (IT) 2024-07-23 US disclosed
US-20230406857-A1 SALTS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS ALFASIGMA S.P.A. (IT) 2023-12-21 US disclosed
EP-3283114-B1 METHODS FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS GALAPAGOS NV (BE) 2023-09-06 EP disclosed
US-11667633-B2 Salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2023-06-06 US disclosed
US-20210369727-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2021-12-02 US disclosed
EP-3842432-A1 NOVEL SALTS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2021-06-30 EP disclosed
US-11000528-B2 Compound useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2021-05-11 US disclosed
US-10919890-B2 Salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2021-02-16 US disclosed
EP-3102575-B1 NOVEL SALTS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2021-01-13 EP disclosed
US-20200244651-A1 NOVEL SALTS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS ALFASIGMA S.P.A. (IT) 2020-07-30 US disclosed
US-8999979-B2 Compound useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2015-04-07 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
US-20140100220-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV 2014-04-10 US disclosed
US-8563545-B2 Compound useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2013-10-22 US disclosed
US-20120142678-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV 2012-06-07 US disclosed
EP-2445911-A1 5-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL CARBOXAMIDES AS JAK INHIBITORS Galapagos N.V. (BE) 2012-05-02 EP disclosed
US-20100331319-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2010-12-30 US disclosed
WO-2010149769-A1 5-PHENYL-[1,2,4 ]TRIAZOLO[1,5-A]PYRIDIN-2-YL CARBOXAMIDES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-12-29 WO disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (9 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-20100331319-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, BMP6 PARP1 4586/4885IKBKB 65/4885CHUK 45/4885
US-10919890-B2 Salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders IL6, JAK1, COL1A1 PARP1 2434/4885IKBKB 331/4885CHUK 472/4885
US-11667633-B2 Salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders IL6, JAK1, COL1A1 PARP1 2434/4885IKBKB 331/4885CHUK 472/4885
US-20140100220-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, BMP6 PARP1 4586/4885IKBKB 65/4885CHUK 45/4885
US-20120142678-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, BMP6 PARP1 4586/4885IKBKB 65/4885CHUK 45/4885
US-12042498-B2 Compound useful for the treatment of degenerative and inflammatory diseases IL6, JAK1, BMP6 PARP1 4375/4885IKBKB 47/4885CHUK 30/4885
US-20210369727-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, BMP6 PARP1 4586/4885IKBKB 65/4885CHUK 45/4885
US-11000528-B2 Compound useful for the treatment of degenerative and inflammatory diseases IL6, JAK1, BMP6 PARP1 4375/4885IKBKB 47/4885CHUK 30/4885
US-20230406857-A1 SALTS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL6, JAK1, COL1A1 PARP1 2434/4885IKBKB 331/4885CHUK 472/4885

“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.