Sugi Predict

Sugi Predict / Compounds / SCHEMBL1767967

SCHEMBL1767967

SCHEMBL1767967

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPID Q08752 2/20 0.37
▸ PPIB P23284 1/20 0.37
▸ PPIA P62937 1/20 0.37
▸ PPIG Q13427 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 6/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 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
SCHEMBL22838048 0.81 LMNA (0.51) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL1768032 0.76 MEN1 (0.44) LMNACYP1A2ALDH1A1TSHRMAPT
SCHEMBL12273082 0.76 MEN1 (0.44) LMNACYP1A2ALDH1A1TSHRMAPT
SCHEMBL1767903 0.75 LMNA (0.43) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL24614580 0.74 LMNA (0.56) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL940605 0.74 LMNA (0.55) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL1767895 0.74 CES1 (0.38) MAOAALDH1A1
SCHEMBL397134 0.72 CYP1A2 (0.53) LMNACYP1A2CYP3A4MAOAPPID
SCHEMBL665559 0.72 CYP1A2 (0.53) LMNACYP1A2CYP3A4MAOAHTT
Hydrochloric Acid SCHEMBL12273902 0.71 CYP1A2 (0.51) LMNACYP1A2CYP3A4MAOAHTT

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 LMNA 3128/4885CYP1A2 446/4885CYP3A4 868/4885

“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.