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Sugi Predict / Compounds / SCHEMBL1768032

SCHEMBL1768032

SCHEMBL1768032

CCOC(=O)C(CCC(F)F)(CCC(F)F)c1ccc(NC(=O)/C=N/O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 7/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12273082 1.00 MEN1 (0.44) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL1767942 0.79 RORC (0.52) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL12273496 0.79 RORC (0.52) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL12273454 0.77 MEN1 (0.45) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL1768103 0.77 MEN1 (0.45) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL1768112 0.76 KMT2A (0.47) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL12273288 0.76 KMT2A (0.47) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL1767967 0.76 LMNA (0.43) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL22380700 0.71 TSHR (0.58) MEN1KMT2ANPSR1CYP1A2MAPT
SCHEMBL1767976 0.70 KMT2A (0.45) MEN1KMT2ANPSR1CYP1A2MAPT

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-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
EP-2504314-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-03 — — EP disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 — — US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 — — US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 — — US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 — — WO disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 — — 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-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 MEN1 4488/4885KMT2A 4002/4885NPSR1 2131/4885

“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.