SCHEMBL856713

SCHEMBL856713

CC(C)(C)C(=O)Nc1ccc(-c2nc(Cl)cc(N3CCOCC3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
KDR P35968 1/20 0.45
PIK3CA P42336 5/20 0.42
MTOR P42345 4/20 0.42
MOK Q9UQ07 2/20 0.41
AKT1 P31749 1/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 2/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL857140 0.87 PIK3CA (0.44) CNR2PIK3CAMTORAKT1CYP1A2
SCHEMBL855847 0.83 KDR (0.57) KDRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL855474 0.81 DYRK1A (0.49) CNR2KDRPIK3CACYP1A2CYP3A4
SCHEMBL857131 0.78 MAPT (0.42) CNR2PIK3CAMTORCYP1A2KMT2A
SCHEMBL855454 0.76 MTOR (0.46) PIK3CAMTORCYP1A2CYP2D6MAPT
SCHEMBL1311675 0.73 PIK3R1 (0.52) PIK3CAMTORMOKAKT1KDM4E
SCHEMBL1311324 0.73 PIK3CA (0.52) PIK3CAMTORPIK3CG
SCHEMBL17857285 0.71 KDM4E (0.50) CNR2KDM4EHTTMAPTSMN1; SMN2
SCHEMBL1309222 0.71 PIK3CA (0.61) PIK3CAMTORPIK3CG
SCHEMBL1311602 0.70 PIK3CA (0.55) PIK3CAMTORMOKAKT1

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 CNR2 2499/4885KDR 826/4885PIK3CA 5/4885

“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.