SCHEMBL3262248

SCHEMBL3262248

NCc1ccc(-c2ccc(C(N)=O)c3n[c]nn23)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NTRK1 P04629 3/20 0.32
PIM1 P11309 3/20 0.32
ACVR1 Q04771 2/20 0.32
TLR8 Q9NR97 2/20 0.31
TSHR P16473 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
NR1H2 P55055 1/20 0.31
PARP1 P09874 1/20 0.30
FYN P06241 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2730821 0.89 MAP2K1 (0.34) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL3200519 0.85 MAP2K1 (0.36) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL3601959 0.85 MAP2K1 (0.36) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL2363030 0.84 NTRK1 (0.43) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL3082604 0.84 MAP2K1 (0.49) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL15654034 0.83 PARP1 (0.45) HRH3JAK2JAK1PARP1
SCHEMBL3593157 0.82 TAAR1 (0.38) MAP2K1CLK4DYRK1BJAK2PARP1
SCHEMBL3583976 0.82 SYK (0.34) MAP2K1CLK4DYRK1BFYN
SCHEMBL2365481 0.82 MAP2K1 (0.34) MAP2K1CLK4DYRK1BNTRK1PIM1
SCHEMBL15654352 0.82 JAK2 (0.42) HRH3JAK2JAK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 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
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 (3 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 MAP2K1 2024/4885CLK4 2073/4885DYRK1B 3291/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 MAP2K1 2241/4885CLK4 2179/4885DYRK1B 3767/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 MAP2K1 2024/4885CLK4 2073/4885DYRK1B 3291/4885

“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.