SCHEMBL11978298

SCHEMBL11978298

CCOc1nc(B2OC(C)(C)C(C)(C)O2)cnc1N

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL69477 0.85 ALPL (0.33) PIK3CAPDGFRBKDR
SCHEMBL3145752 0.85 PIK3CA (0.37) PIK3CA
SCHEMBL3136789 0.83 PIK3CA (0.38) PIK3CAAAK1PDGFRBKDR
SCHEMBL84601 0.81 PDGFRB (0.30) AAK1PDGFRBKDR
SCHEMBL15181587 0.76 PDGFRB (0.33) PDGFRBKDR
SCHEMBL26916536 0.74 NUDT1 (0.35) PDGFRBKDRLPLLIPG
SCHEMBL26916529 0.74 NUDT1 (0.35) PDGFRBKDRLPLLIPG
SCHEMBL24215357 0.73 ALPL (0.37) AAK1
SCHEMBL22490779 0.73 DGAT1 (0.32) LPLLIPG
SCHEMBL10137360 0.72 DGAT1 (0.36) AAK1LPLLIPG

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 3 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
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 PIK3CA 153/4885AAK1 269/4885PDGFRB 611/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PIK3CA 153/4885AAK1 269/4885PDGFRB 611/4885

“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.