SCHEMBL4437704

SCHEMBL4437704

CC(Nc1ccncc1[N+](=O)[O-])C(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.40
HCAR3 P49019 3/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL23852951 0.82 ALDH1A1 (0.56) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL16657359 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHTTGAARAB9A
Potassium Ion SCHEMBL5692710 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL186601 0.74 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL30239656 0.74 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL9469139 0.74 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL29104728 0.74 HTT (0.55) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL27755590 0.71 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL28801025 0.71 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL2337025 0.70 ALDH1A1 (0.56) ALDH1A1MAPTHTTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (2 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 ALDH1A1 2176/4885MAPT 4106/4885HTT 3962/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885MAPT 4106/4885HTT 3962/4885

“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.