SCHEMBL3021044

SCHEMBL3021044

Ic1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.77
ERBB2 P04626 13/20 0.77
AURKB Q96GD4 2/20 0.74
ERBB4 Q15303 2/20 0.74
CHEK2 O96017 1/20 0.74
ROS1 P08922 1/20 0.74
FLT3 P36888 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
TTBK1 Q5TCY1 1/20 0.60
TTBK2 Q6IQ55 1/20 0.60
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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 SCHEMBL3324380 0.99 EGFR (0.76) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL7498317 0.93 EGFR (0.67) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL3014295 0.88 EGFR (0.63) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL3322166 0.88 EGFR (0.61) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL3704389 0.87 EGFR (0.62) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8363497 0.87 EGFR (1.00) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL7243965 0.87 EGFR (0.79) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL1387147 0.87 EGFR (0.79) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL1387244 0.86 EGFR (1.00) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL7243031 0.86 EGFR (0.77) EGFRERBB2AURKBERBB4CHEK2

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 39 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
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
US-20100197915-A1 LAPATINIB INTERMEDIATES TEVA PHARMACEUTICALS USA, INC. 2010-08-05 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 US disclosed
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 CN disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 US disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 CN 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 (9 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 EGFR 3/4885ERBB2 1/4885AURKB 76/4885
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 EGFR 3409/4885ERBB2 2282/4885AURKB 1117/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885AURKB 369/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885AURKB 109/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK EGFR 354/4885ERBB2 35/4885AURKB 175/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885ERBB2 2/4885AURKB 147/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885AURKB 109/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885AURKB 109/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885AURKB 109/4885

“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.