SCHEMBL4445220

SCHEMBL4445220

Cc1cc(-c2ccnc(N)c2[N+](=O)[O-])cc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
MAPT P10636 7/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 3/20 0.41
MITF O75030 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 2/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTOR P42345 2/20 0.36
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
PRKACA P17612 1/20 0.35
CASP6 P55212 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL4445216 0.77 PIM2 (0.41) LMNAMAPTHTTNPC1RAB9A
SCHEMBL17555611 0.76 MAPT (0.44) LMNAMAPTHTTKMT2AMITF
SCHEMBL1840937 0.76 MEN1 (0.48) LMNAMAPTHTTKMT2AMITF
SCHEMBL17591674 0.74 HTT (0.38) LMNAMAPTHTTKMT2AMITF
SCHEMBL18131070 0.74 HTT (0.46) LMNAMAPTHTTKMT2AMITF
SCHEMBL4930996 0.73 DYRK1A (0.44) LMNAMAPTKMT2ADYRK1AALDH1A1
SCHEMBL18131092 0.72 SMN1; SMN2 (0.50) LMNAMAPTHTTKMT2AMITF
SCHEMBL4937390 0.72 RAB9A (0.46) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL29674727 0.72 NOS2 (0.50) LMNAMAPTHTTKMT2AMITF
SCHEMBL204345 0.72 NOS2 (0.50) LMNAMAPTHTTKMT2AMITF

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 LMNA 2380/4885MAPT 4106/4885HTT 3962/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 LMNA 2380/4885MAPT 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.