Sugi Predict

Sugi Predict / Compounds / SCHEMBL1569965

SCHEMBL1569965

SCHEMBL1569965

FC(F)(F)c1cnn(-c2c[c]ccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ NOTUM Q6P988 4/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ ALKBH2 Q6NS38 1/20 0.33
▸ GABRB3 P28472 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ CYP46A1 Q9Y6A2 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL3616893 0.80 GAA (0.37) EPHX2NPC1RAB9AGRM4GAA
SCHEMBL3606688 0.79 GAA (0.55) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL28680202 0.77 GAA (0.37) NPC1RAB9AGAAHPGDSALKBH2
SCHEMBL28592022 0.73 RAB9A (0.37) NPC1RAB9AMEN1KMT2AGRM4
SCHEMBL21863392 0.71 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2902578 0.71 L3MBTL1 (0.40) MEN1KMT2AMAPT
SCHEMBL28508052 0.71 MPO (0.32) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21849159 0.70 EPHX2 (0.64) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL11901651 0.69 EPHX2 (0.55) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL11900195 0.69 EPHX2 (0.44) EPHX2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 — — CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 — — CN disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 EPHX2 4702/4885NPC1 1538/4885RAB9A 1229/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 EPHX2 4430/4885NPC1 922/4885RAB9A 1347/4885

“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.