SCHEMBL2276354

SCHEMBL2276354

O=C(O)NC1CC(CF)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.37
PIM3 Q86V86 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 7/20 0.34
ALDH1A1 P00352 6/20 0.34
HTT P42858 4/20 0.34
POLB P06746 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2276357 1.00 PIM1 (0.37) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL11899315 0.91 KMT2A (0.37) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL14972705 0.91 KMT2A (0.37) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL11899314 0.91 KMT2A (0.37) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL14972704 0.91 KMT2A (0.37) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL4433871 0.89 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11898640 0.86 MEN1 (0.38) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL11898639 0.86 MEN1 (0.38) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL11899432 0.86 MEN1 (0.38) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL11899431 0.86 MEN1 (0.38) PIM1PIM3PIM2MEN1KMT2A

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 12 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
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
EP-2262802-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110195956-A1 Heterocyclic 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 (4 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.