SCHEMBL2999764

SCHEMBL2999764

O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)o1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.68
EGFR P00533 12/20 0.68
CHEK2 O96017 1/20 0.59
ROS1 P08922 1/20 0.59
FLT3 P36888 1/20 0.59
ERBB4 Q15303 1/20 0.59
AURKB Q96GD4 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59

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
Hydrochloric Acid SCHEMBL3319025 0.99 ERBB2 (0.67) ERBB2EGFRCHEK2ROS1FLT3
SCHEMBL18241715 0.91 ERBB2 (0.58) ERBB2EGFRCHEK2ROS1FLT3
SCHEMBL3004266 0.91 EGFR (0.70) ERBB2EGFRERBB4AURKB
SCHEMBL3318946 0.88 EGFR (0.71) ERBB2EGFR
SCHEMBL3320359 0.88 EGFR (0.67) ERBB2EGFR
SCHEMBL3321634 0.88 EGFR (0.69) ERBB2EGFR
SCHEMBL3009979 0.88 EGFR (0.69) ERBB2EGFRERBB4AURKB
SCHEMBL12694515 0.87 BRAF (0.57) ERBB2EGFRCLK4
SCHEMBL13900562 0.87 ERBB2 (0.59) ERBB2EGFRCHEK2ROS1FLT3
SCHEMBL3320898 0.86 ERBB2 (0.73) ERBB2EGFRCHEK2ROS1FLT3

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197915-A1 LAPATINIB INTERMEDIATES TEVA PHARMACEUTICALS USA, INC. 2010-08-05 US claimed
WO-2010017387-A2 LAPATINIB INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-11 WO claimed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP claimed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 WO disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (5 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-20100197915-A1 LAPATINIB INTERMEDIATES ERBB2, ABL1, EGFR ERBB2 1/4885EGFR 3/4885CHEK2 44/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885CHEK2 119/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885CHEK2 119/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885CHEK2 119/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC ERBB2 2/4885EGFR 7/4885CHEK2 119/4885

“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.