SCHEMBL2249076

SCHEMBL2249076

NCCC(=O)Nc1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.67
EGFR P00533 15/20 0.63
ERBB4 Q15303 10/20 0.63
JAK3 P52333 8/20 0.61
MEN1 O00255 1/20 0.61
RGS12 O14924 1/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
RAF1 P04049 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
APEX1 P27695 1/20 0.61

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
SCHEMBL2249277 0.91 ERBB2 (0.61) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL2248227 0.86 ERBB2 (0.60) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6883721 0.86 ERBB2 (0.76) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6773200 0.85 ERBB2 (0.69) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL3323462 0.83 ERBB2 (0.74) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL31061501 0.82 ERBB2 (0.76) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8561085 0.82 ERBB2 (0.76) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6763973 0.82 ERBB2 (0.73) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL8363568 0.81 ERBB2 (0.69) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6891343 0.81 ERBB2 (0.62) ERBB2EGFRERBB4JAK3MEN1

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 5 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 disclosed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US 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

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 ERBB2 1693/4885EGFR 1400/4885ERBB4 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.