SCHEMBL1725938

SCHEMBL1725938

CCc1c(C(=O)O)c(Cl)cc2nc(Nc3cc(CN)ccc3Cl)[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CXCR2 P25025 2/20 0.32
POLB P06746 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
MAPT P10636 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
SCHEMBL16199734 0.64 CYP4F2 (0.39) MAPT
SCHEMBL11894583 0.64 PTGES (0.45)
SCHEMBL9939817 0.63 KCNH2 (0.43)
SCHEMBL16199736 0.63 MAPT (0.33) POLBMAPT
SCHEMBL1727300 0.61 PTGES (0.46)
SCHEMBL14119600 0.61 KDM1A (0.33)
SCHEMBL2924883 0.59 MAPT (0.44) POLBMAPT
SCHEMBL2929913 0.59 POLB (0.68) POLBMAPT
SCHEMBL1968399 0.59 POLB (0.58) POLBCSNK2A1MAPT
SCHEMBL12856619 0.58 MAPT (0.44) MAPT

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-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CDK5 1220/4885CDK5R1 555/4885CXCR2 129/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CDK5 1220/4885CDK5R1 555/4885CXCR2 129/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CDK5 1220/4885CDK5R1 555/4885CXCR2 129/4885

“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.