SCHEMBL4867983

SCHEMBL4867983

COc1[c]cc2c(Nc3ccc(OCc4cccc(C)n4)c(Cl)c3)nc(C(N)=O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ EGFR P00533 15/20 0.42
▸ ERBB2 P04626 13/20 0.42
▸ LCK P06239 1/20 0.41
▸ ERBB4 Q15303 1/20 0.40
▸ GAK O14976 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2255343 0.90 AURKA (0.54) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL4866302 0.87 AURKA (0.46) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL4868534 0.85 KDR (0.49) EGFRERBB2ERBB4GAKKDR
SCHEMBL4865572 0.84 EGFR (0.42) EGFRERBB2ERBB4GAKKDR
SCHEMBL4861054 0.84 ERBB2 (0.54) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL5126375 0.83 EGFR (0.55) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL4868107 0.83 AURKA (0.51) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL4865132 0.80 AURKA (0.52) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL4864883 0.80 AURKA (0.57) AURKARPS6KB1EGFRERBB2LCK
SCHEMBL5125233 0.80 AURKA (0.51) AURKARPS6KB1EGFRERBB2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 — — EP claimed
JP-2008525522-A — — 2008-07-17 — — JP claimed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 — — US claimed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 — — EP claimed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 — — WO claimed
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 — — EP disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 — — US disclosed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 — — EP disclosed
EP-1737863-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Astellas Pharma Inc. (JP) 2007-01-03 — — EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 — — WO disclosed
WO-2005042533-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS ASTELLAS PHARMA INC. (JP) 2005-05-12 — — 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-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AURKA 177/4885RPS6KB1 3397/4885EGFR 1400/4885

“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.

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