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Sugi Predict / Compounds / SCHEMBL1768112

SCHEMBL1768112

SCHEMBL1768112

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 6/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL12273288 1.00 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL12273395 0.89 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL12273396 0.89 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL12273394 0.89 KMT2A (0.47) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL1767976 0.87 KMT2A (0.45) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL12272978 0.87 KMT2A (0.45) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL12272980 0.87 KMT2A (0.45) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL28800399 0.80 LMNA (0.39) KMT2AMEN1LMNAMAPTCASP3
SCHEMBL12273082 0.76 MEN1 (0.44) KMT2AMEN1CYP1A2NPSR1TP53
SCHEMBL1768032 0.76 MEN1 (0.44) KMT2AMEN1CYP1A2NPSR1TP53

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 KMT2A 4002/4885MEN1 4488/4885CYP1A2 446/4885

“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.