SCHEMBL9899450

SCHEMBL9899450

NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.41
TERT O14746 3/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CNR1 P21554 1/20 0.35
KCNH2 Q12809 2/20 0.35
CSF1R P07333 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NTRK1 P04629 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
FGFR1 P11362 1/20 0.32

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
SCHEMBL9939817 0.92 KCNH2 (0.43) MAP2K7PDE3BPDE3AKCNH2SMN1; SMN2
SCHEMBL9939773 0.82 AKT2 (0.42) CNR1KCNH2HTTSMN1; SMN2
SCHEMBL9940040 0.81 ENPP2 (0.36) PDE3BPDE3ACNR1GAAMAPT
SCHEMBL9939974 0.81 PTGES (0.43) CNR1
SCHEMBL14119480 0.81 PDE3B (0.33) TERTPDE3BPDE3ACNR1KCNH2
SCHEMBL9939831 0.80 PTGES (0.41) CNR1
SCHEMBL9939775 0.80 DRD2 (0.40) CNR1DRD2DRD4
SCHEMBL9941944 0.80 SMO (0.44) CNR1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL14238211 0.79 CNR1 (0.36) CNR1CSF1RHTTSMN1; SMN2
SCHEMBL9939834 0.79 PTGES (0.38) CNR1GAAMAPTXBP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAP2K7 4500/4885TERT 2035/4885PDE3B 475/4885

“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.