SCHEMBL11909040

SCHEMBL11909040

Cc1cc(-c2[c]c(C(N)=O)ncc2)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
CDK2 P24941 4/20 0.35
CDK1 P06493 2/20 0.35
JAK2 O60674 5/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
PDPK1 O15530 2/20 0.34
ROCK1 Q13464 2/20 0.34
AURKB Q96GD4 2/20 0.34
PIK3CB P42338 1/20 0.34
TSHR P16473 1/20 0.34
AURKA O14965 1/20 0.34
TGFBR1 P36897 1/20 0.34
CDC7 O00311 4/20 0.34
CCNE1 P24864 2/20 0.34
DBF4 Q9UBU7 2/20 0.34

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
SCHEMBL11907276 0.83 ALDH1A1 (0.45) CDK2JAK2PDPK1ROCK1AURKB
SCHEMBL11908324 0.81 PIK3CA (0.36) PIK3CDPIK3CAPIK3CGJAK2PIK3CB
SCHEMBL11907002 0.78 MKNK1 (0.41) PIK3CBCDC7DBF4MKNK2IRAK4
SCHEMBL11908092 0.75 MKNK1 (0.33) PIK3CAMKNK2
SCHEMBL11906940 0.75 NOS3 (0.35) CDK2JAK2ATMPDPK1ROCK1
SCHEMBL11907122 0.73 NOS3 (0.35) PIK3CAPIK3CGCDK2JAK2PIK3CB
SCHEMBL3232701 0.69 SIRT3 (0.36) JAK2PIK3CBTSHRPIM1MKNK2
SCHEMBL11906973 0.69 IKBKB (0.40) CDK2CDK1JAK2PDPK1ROCK1
SCHEMBL11907716 0.68 MKNK1 (0.39) CDC7PKN2MKNK2IKBKB
SCHEMBL11909659 0.68 MKNK1 (0.39) PIK3CACDC7DBF4MAP4K4CDK5

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 HSP90AA1 2066/4885HSP90AB1 1693/4885PIK3CD 355/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 HSP90AA1 2066/4885HSP90AB1 1693/4885PIK3CD 355/4885

“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.