SCHEMBL4865572

SCHEMBL4865572

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.42
KDR P35968 2/20 0.42
ERBB2 P04626 9/20 0.39
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
HDAC5 Q9UQL6 6/20 0.39
CSNK2A1 P68400 1/20 0.39
ERBB4 Q15303 1/20 0.38
CSF1R P07333 1/20 0.38
BCL6 P41182 2/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37
GAK O14976 1/20 0.37

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
SCHEMBL27067 0.85 EGFR (0.43) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL26875 0.85 CSNK2A1 (0.49) EGFRKDRERBB2CSNK2A1ERBB4
SCHEMBL2255343 0.85 AURKA (0.54) EGFRERBB2ERBB4
SCHEMBL4865132 0.84 AURKA (0.52) EGFRERBB2ERBB4
SCHEMBL4867983 0.84 AURKA (0.44) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4868534 0.84 KDR (0.49) EGFRKDRERBB2ERBB4GAK
SCHEMBL4865094 0.80 EGFR (0.56) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL26592 0.80 EGFR (0.44) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL26349 0.79 EGFR (0.44) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL26636 0.79 EGFR (0.47) EGFRERBB2CSNK2A1ERBB4CSF1R

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
WO-2006071079-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
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-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 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 EGFR 1400/4885KDR 2570/4885ERBB2 1693/4885

“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.