SCHEMBL12367239

SCHEMBL12367239

C[C@H]1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4[N+](=O)[O-])cc23)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 11/20 0.41
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
MITF O75030 1/20 0.37
CTSB P07858 2/20 0.36
CDK8 P49336 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL13457594 1.00 MAPT (0.42) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL13457878 0.85 KDM4E (0.40) TDP1KMT2AHTTCDK8NPSR1
SCHEMBL12367241 0.85 KDM4E (0.40) TDP1KMT2AHTTCDK8NPSR1
SCHEMBL27824183 0.84 L3MBTL1 (0.36) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL27824185 0.84 POLB (0.36) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL2207377 0.83 BTK (0.45)
SCHEMBL2207373 0.83 BTK (0.45)
SCHEMBL12367223 0.79 PKM (0.44) MAPTALDH1A1TDP1KMT2AHTT
SCHEMBL27843182 0.72 IDE (0.37) ALDH1A1
SCHEMBL27843186 0.71 BTK (0.35) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 MAPT 3216/4885ALDH1A1 2522/4885TDP1 591/4885

“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.