SCHEMBL4436889

SCHEMBL4436889

Nc1cnc(C(=O)Nc2cnccc2N2CCCCC2)c(N)n1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 11/20 0.78
PIM1 P11309 10/20 0.78
PIM2 Q9P1W9 10/20 0.78
ATR Q13535 3/20 0.56
GSK3B P49841 5/20 0.52
DYRK1A Q13627 2/20 0.52
PRKCA P17252 2/20 0.52
PRKCQ Q04759 2/20 0.52
MAPT P10636 1/20 0.52
GSK3A P49840 1/20 0.50

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
SCHEMBL4445138 0.87 PIM1 (1.00) PIM3PIM1PIM2ATRGSK3B
SCHEMBL4432006 0.83 PIM2 (0.69) PIM3PIM1PIM2ATRGSK3B
SCHEMBL11906844 0.83 PIM2 (0.76) PIM3PIM1PIM2ATRGSK3B
SCHEMBL15103607 0.81 PIM3 (0.79) PIM3PIM1PIM2ATRGSK3B
SCHEMBL11907311 0.79 PIM1 (0.84) PIM3PIM1PIM2ATRGSK3B
SCHEMBL4433869 0.79 PIM3 (0.66) PIM3PIM1PIM2ATR
SCHEMBL11907365 0.78 PIM1 (0.92) PIM3PIM1PIM2ATRGSK3B
SCHEMBL14067996 0.77 PIM3 (0.63) PIM3PIM1PIM2GSK3BDYRK1A
SCHEMBL15109480 0.77 PIM2 (0.63) PIM3PIM1PIM2ATRGSK3B
SCHEMBL11906979 0.76 PIM1 (1.00) PIM3PIM1PIM2ATRGSK3B

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 9 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
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
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 PIM3 3/4885PIM1 1/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIM3 3/4885PIM1 1/4885PIM2 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.