SCHEMBL4617501

SCHEMBL4617501

Cc1cc(Nc2ncnc3ccc(/C=C/CCl)cc23)ccc1Oc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
ERBB2 P04626 10/20 0.60
FECH P22830 1/20 0.60
CDK8 P49336 1/20 0.60
MAP2K5 Q13163 1/20 0.60
CDK19 Q9BWU1 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
ERBB4 Q15303 2/20 0.48
ERBB3 P21860 1/20 0.48
FLT1 P17948 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41

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
SCHEMBL4617504 1.00 EGFR (0.60) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4617817 0.92 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4617814 0.92 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6176588 0.92 ERBB2 (0.59) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6177836 0.88 ERBB2 (0.69) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175161 0.88 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175168 0.88 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6177828 0.88 ERBB2 (0.69) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174099 0.87 ERBB2 (0.70) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174092 0.87 ERBB2 (0.70) EGFRERBB2FECHCDK8MAP2K5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
EP-1896030-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER Pfizer Products Incorporated (US) 2008-03-12 EP disclosed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
WO-2006129163-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2006-12-07 WO disclosed
EP-1682176-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-07-26 EP disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
WO-2005044302-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-19 WO disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
EP-1465632-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-10-13 EP disclosed
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth PFIZER INC. 2003-09-11 US disclosed
WO-2003049740-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-19 WO disclosed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US disclosed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 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-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 EGFR 119/4885ERBB2 755/4885FECH 3297/4885
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FECH 3716/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FECH 3926/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 EGFR 164/4885ERBB2 883/4885FECH 2655/4885
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885FECH 4706/4885

“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.