SCHEMBL4554080

SCHEMBL4554080

O=[N+]([O-])c1cc(-c2ccn[nH]2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.61
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
PTPN11 Q06124 1/20 0.49
ALDH1A1 P00352 1/20 0.48
DHFR P00374 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
VCAM1 P19320 3/20 0.44

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
SCHEMBL21145379 0.79 MAPT (0.50) NOTUMMAPTMEN1KMT2AMITF
SCHEMBL1807875 0.78 VCAM1 (0.50) NOTUMMAPTMEN1KMT2AMITF
SCHEMBL5992360 0.78 VCAM1 (0.60) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL1816589 0.77 NOTUM (1.00) NOTUMMAPTMEN1KMT2AHTT
SCHEMBL1814558 0.77 NOTUM (0.58) NOTUMMAPTMEN1KMT2AMITF
SCHEMBL2461199 0.76 VCAM1 (0.58) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL1813050 0.75 MAPT (0.47) NOTUMMAPTMEN1KMT2AMITF
SCHEMBL12076512 0.75 NPC1 (0.50) NOTUMMAPTMEN1KMT2AMITF
SCHEMBL10663504 0.74 MAPT (0.66) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL4306926 0.74 POLB (0.53) NOTUMMAPTMEN1KMT2AMITF

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 8 patents. 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-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
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN 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 NOTUM 2607/4885MAPT 4106/4885MEN1 3897/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 NOTUM 2607/4885MAPT 4106/4885MEN1 3897/4885

“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.