SCHEMBL4865128

SCHEMBL4865128

NC(=O)c1nc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c2c[c]ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.59
ERBB2 P04626 14/20 0.59
ERBB4 Q15303 3/20 0.53
GAK O14976 1/20 0.53
ERBB3 P21860 1/20 0.51
ABL1 P00519 3/20 0.49
INSR P06213 3/20 0.49
PDGFRB P09619 3/20 0.49
CDK2 P24941 3/20 0.49
PLK1 P53350 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49

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
SCHEMBL4867050 0.88 EGFR (0.47) EGFRERBB2
SCHEMBL4862985 0.87 ERBB2 (0.45) EGFRERBB2ERBB4
SCHEMBL8488615 0.85 EGFR (0.42) EGFRERBB2ERBB4GAKABL1
SCHEMBL8150843 0.85 EGFR (0.42) EGFRERBB2ERBB4GAKABL1
SCHEMBL4866302 0.85 AURKA (0.46) EGFRERBB2ERBB4
SCHEMBL4858939 0.84 AURKA (0.57) EGFRERBB2ERBB4ERBB3
SCHEMBL4865094 0.83 EGFR (0.56) EGFRERBB2ERBB4GAKERBB3
SCHEMBL2991831 0.80 DYRK1A (0.47) EGFRERBB2
SCHEMBL6103472 0.78 EGFR (0.48) EGFRERBB2ERBB4GAK
SCHEMBL8093530 0.78 SIRT2 (0.50) EGFRERBB2ERBB4HDAC1HDAC8

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 1400/4885ERBB2 1693/4885ERBB4 2142/4885

“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.