SCHEMBL11898640

SCHEMBL11898640

O=C(O)N[C@H]1C[C@H](F)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.35
MAPT P10636 8/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CHRM4 P08173 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33

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
SCHEMBL11899432 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11898639 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11899431 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4433871 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2693670 0.89 PIM2 (0.38) MEN1KMT2APIM1PIM3PIM2
SCHEMBL15873240 0.89 PIM2 (0.38) MEN1KMT2APIM1PIM3PIM2
SCHEMBL2693665 0.89 PIM2 (0.38) MEN1KMT2APIM1PIM3PIM2
SCHEMBL15873237 0.89 PIM2 (0.38) MEN1KMT2APIM1PIM3PIM2
SCHEMBL1710224 0.87 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15873409 0.87 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 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-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MEN1 3664/4885KMT2A 1446/4885ALDH1A1 1386/4885

“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.