SCHEMBL2918346

SCHEMBL2918346

COc1ccc(-n2nc(C(=O)N3CCN(C)C(C)C3)cc2-c2ccccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NTRK1 P04629 4/20 0.39
MGLL Q99685 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 4/20 0.38
CCKAR P32238 1/20 0.37
SMO Q99835 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL2919121 0.91 HCRTR1 (0.40) CFTRSMN1; SMN2NTRK1MGLLHCRTR1
SCHEMBL2917820 0.89 MGLL (0.48) CFTRMGLLKDM1ACCKAR
SCHEMBL2919855 0.88 MGLL (0.50) CFTRNTRK1MGLLCCKAR
SCHEMBL5270015 0.86 NTRK1 (0.43) NTRK1MGLLMEN1KMT2AKDM1A
SCHEMBL2919136 0.86 NTRK1 (0.45) CFTRNTRK1MGLLCCKAR
SCHEMBL5271833 0.86 NTRK1 (0.48) NTRK1MEN1KMT2AKDM1A
SCHEMBL5270595 0.86 MEN1 (0.43) NTRK1MGLLMEN1KMT2AKDM1A
SCHEMBL2921813 0.85 NTRK1 (0.51) NTRK1MGLLMEN1KMT2AKDM1A
SCHEMBL2916328 0.85 BRD4 (0.41) NTRK1MGLLHCRTR1HCRTR2
SCHEMBL13637539 0.85 MALT1 (0.45) CFTRSMN1; SMN2MGLLMEN1KMT2A

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
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CFTR 1992/4885SMN1; SMN2 3778/4885NTRK1 4844/4885

“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.