SCHEMBL11907097

SCHEMBL11907097

Nc1nccnc1C(=O)Nc1cc(Cl)ccc1N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.70
PIM3 Q86V86 7/20 0.70
PIM2 Q9P1W9 7/20 0.57
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATR Q13535 1/20 0.48
PRKCA P17252 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCQ Q04759 1/20 0.47
HTT P42858 1/20 0.47
IRAK4 Q9NWZ3 6/20 0.46
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IRAK1 P51617 1/20 0.44
PIK3CD O00329 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL11908015 0.87 PIM1 (0.70) PIM1PIM3PIM2ATRPRKCA
SCHEMBL11907023 0.86 IRAK4 (0.59) PIM1PIM3PIM2ALOX15TSHR
SCHEMBL11907344 0.85 PIM1 (0.78) PIM1PIM3PIM2ATRPRKCA
SCHEMBL11907589 0.85 PIM1 (0.67) PIM1PIM3PIM2TSHRMAPK1
SCHEMBL11907083 0.84 PIM1 (0.66) PIM1PIM3PIM2TSHRL3MBTL1
SCHEMBL11906947 0.83 PIM1 (0.64) PIM1PIM3PIM2PRKCAGSK3B
SCHEMBL11984469 0.83 PIM1 (0.64) PIM1PIM3PIM2TSHRATR
SCHEMBL11906979 0.82 PIM1 (1.00) PIM1PIM3PIM2ATRPRKCA
SCHEMBL11909771 0.81 PIM1 (0.68) PIM1PIM3PIM2ATRPRKCA
SCHEMBL11909287 0.81 PIM2 (0.72) PIM1PIM3PIM2ATRPRKCA

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 7 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-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-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
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 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.