SCHEMBL4445216

SCHEMBL4445216

Cc1cc(-c2ccncc2[N+](=O)[O-])cc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
GSK3B P49841 1/20 0.38
HASPIN Q8TF76 1/20 0.38
RAB9A P51151 3/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.35
DYRK1A Q13627 1/20 0.35
MTOR P42345 1/20 0.35
DHFR P00374 1/20 0.34

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
SCHEMBL11907003 0.78 PIM2 (0.46) PIM2MAPTCYP3A4DYRK1AMTOR
SCHEMBL4445220 0.77 LMNA (0.44) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL11908199 0.75 RPS6KA3 (0.43) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL4437741 0.73 SYK (0.36) ALDH1A1MAPTHTTGAA
SCHEMBL11978343 0.73 GAA (0.31) ALDH1A1HTTGAA
SCHEMBL20189898 0.71 ALDH1A1 (0.61) ALDH1A1MAPTGSK3BRAB9AHTT
SCHEMBL29973546 0.71 ALDH1A1 (0.61) ALDH1A1MAPTGSK3BRAB9AHTT
SCHEMBL17254423 0.70 MAPT (0.40) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL224170 0.69 CYP11B2 (0.59) MAPTRAB9AHTTNPC1CYP3A4
SCHEMBL13736610 0.69 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AHTTNPC1

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 14 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 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-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 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
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
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US 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
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 PIM2 2/4885ALDH1A1 2176/4885MAPT 4106/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM2 2/4885ALDH1A1 2176/4885MAPT 4106/4885

“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.