SCHEMBL1031075

SCHEMBL1031075

c1cncc(CNc2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.54
CSNK1D P48730 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PIK3CB P42338 2/20 0.47
PIK3CD O00329 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
RAD52 P43351 1/20 0.46
PIK3CG P48736 1/20 0.45
NTRK1 P04629 1/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
PTK2 Q05397 2/20 0.44
VCP P55072 1/20 0.44

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
SCHEMBL1203199 0.92 JAK2 (0.46) PIK3CAJAK2JAK3PTK2VCP
SCHEMBL12662360 0.82 KDM4E (0.49) PIK3CACSNK1DCYP1A2CYP3A4CYP2D6
SCHEMBL1035493 0.82 KMT2A (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1035314 0.78 ADRA2C (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1076858 0.77 CLK4 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1033950 0.77 CYP3A4 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1034598 0.75 VNN1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1077393 0.75 ATR (0.52) PIK3CAMAPK8MAPK10PIK3CGJAK2
SCHEMBL1032557 0.74 CYP3A4 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15722454 0.74 MAPT (0.53) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PIK3CA 3044/4885CSNK1D 3971/4885CYP1A2 2055/4885

“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.