SCHEMBL856063

SCHEMBL856063

CC(C)(C)C(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TMPRSS4 Q9NRS4 1/20 0.50
DEGS1 O15121 1/20 0.47
USP30 Q70CQ3 1/20 0.45
DYRK3 O43781 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
STK17A Q9UEE5 1/20 0.45
KDR P35968 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR6 P51684 1/20 0.42

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
SCHEMBL6602168 0.84 MEN1 (0.53) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL1430551 0.82 KMT2A (0.57) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL28449441 0.82 RAB9A (0.45) MEN1KMT2ADEGS1KDRNPC1
SCHEMBL15057350 0.81 EGLN2 (0.50) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL14840464 0.81 FFAR1 (0.49) KDRNPC1RAB9APAX8KLF5
SCHEMBL3715011 0.80 MEN1 (0.58) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL6610291 0.79 MEN1 (0.57) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL19958489 0.78 RORC (0.49) USP30L3MBTL1
SCHEMBL3060427 0.78 MEN1 (0.53) MEN1KMT2ATMPRSS4DEGS1USP30
SCHEMBL30071320 0.78 USP30 (0.54) MEN1KMT2ATMPRSS4DEGS1USP30

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-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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 (1 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A MEN1 3068/4885KMT2A 3052/4885TMPRSS4 1764/4885

“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.