SCHEMBL4566592

SCHEMBL4566592

CSc1ncc2cc(-c3ccc(F)c(N)c3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.42
MTOR P42345 4/20 0.42
BRD4 O60885 1/20 0.39
PIM1 P11309 1/20 0.35
TTK P33981 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
BTK Q06187 1/20 0.35
ERN1 O75460 2/20 0.35
FGFR4 P22455 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL29357514 0.92 PIK3CA (0.42) PIK3CAMTORPIM1TTKPIM2
SCHEMBL22190925 0.92 PIK3CA (0.42) PIK3CAMTORPIM1TTKPIM2
SCHEMBL4283863 0.88 PIK3CA (0.48) PIK3CAMTORBRD4BTKERN1
SCHEMBL4283199 0.87 FGFR1 (0.45) BRD4BTKFGFR4ALDH1A1CYP1A2
SCHEMBL5066989 0.84 SIK2 (0.46) PIK3CAMTORERN1FGFR1
SCHEMBL4566794 0.84 BRD4 (0.38) BRD4BTKFGFR4FGFR1NPC1
SCHEMBL4280930 0.84 PIK3CA (0.36) PIK3CAMTORBRD4PIM1TTK
SCHEMBL4569929 0.83 PIK3CA (0.36) PIK3CAMTORPIM1TTKPIM2
SCHEMBL22190694 0.83 KDM5B (0.37) PIK3CAMTORERN1ALOX5APFEN1
SCHEMBL29353781 0.83 KDM5B (0.37) PIK3CAMTORERN1ALOX5APFEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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 (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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 PIK3CA 286/4885MTOR 332/4885BRD4 1320/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 PIK3CA 286/4885MTOR 332/4885BRD4 1320/4885

“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.