SCHEMBL11909660

SCHEMBL11909660

CCc1cc(-c2ccncc2N)cc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
PDPK1 O15530 3/20 0.36
PPID Q08752 1/20 0.36
MTOR P42345 3/20 0.35
AOC1 P19801 2/20 0.35
AOC3 Q16853 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABL1 P00519 1/20 0.34
MAP4K4 O95819 1/20 0.34
TGFBR1 P36897 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL11907003 0.80 PIM2 (0.46) NOS3NOS2PPIDMTORAOC1
SCHEMBL11907719 0.76 PIM2 (0.48) PPIDPIM2CYP1A2CYP3A4CYP2D6
SCHEMBL4437085 0.73 SYK (0.39) PDPK1PPID
SCHEMBL29477093 0.68 CYP2D6 (0.46) AOC1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL15770240 0.68 CYP2D6 (0.46) AOC1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL30824204 0.68 GAA (0.45) AOC1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL20599755 0.68 GAA (0.45) AOC1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL17506374 0.68 AOC1 (0.52) AOC1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL11908327 0.67 PIK3CA (0.48) PPIDMTORAOC1AOC3PIM2
SCHEMBL15784063 0.65 CYP2A6 (0.49) AOC1AOC3CYP1A2CYP3A4CYP2D6

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 4 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

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 NOS3 2670/4885NOS2 2597/4885PDPK1 56/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 NOS3 2670/4885NOS2 2597/4885PDPK1 56/4885

“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.