SCHEMBL1710259

SCHEMBL1710259

O=[N+]([O-])c1cnc(Cl)nc1N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 8/20 0.57
MAPK1 P28482 5/20 0.57
POLB P06746 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 2/20 0.43

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
SCHEMBL3561849 0.85 CYP1A2 (0.55) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL11824324 0.84 ABL1 (0.43) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL3537856 0.83 MAPT (0.48) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL27794105 0.79 POLB (0.53) ALDH1A1MAPTPOLBTDP1HTT
SCHEMBL101570 0.78 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL29445495 0.76 ALDH1A1 (0.71) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL6628480 0.75 MAPT (0.52) ALDH1A1MAPTMAPK1POLBABL1
SCHEMBL5413242 0.75 STK17A (0.53) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL1935919 0.75 SMN1; SMN2 (0.47) ALDH1A1MAPTMAPK1TDP1ABL1
SCHEMBL3707709 0.75 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1POLBTDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN 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-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
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-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
CN-102197032-A Heterocyclic PIM-kinase inhibitors NOVARTIS AG 2011-09-21 CN disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO 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 (3 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 4106/4885MAPK1 216/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885MAPT 4106/4885MAPK1 216/4885
US-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 ALDH1A1 2194/4885MAPT 3442/4885MAPK1 103/4885

“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.