SCHEMBL5076150

SCHEMBL5076150

O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.74
PDGFRB P09619 3/20 0.62
PDGFRA P16234 2/20 0.62
AURKA O14965 5/20 0.60
HRH3 Q9Y5N1 2/20 0.55
CHEK1 O14757 3/20 0.51
FGFR1 P11362 1/20 0.47

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
SCHEMBL5078044 0.95 KDR (0.81) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5076089 0.90 KDR (0.90) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5079401 0.89 KDR (0.75) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5078012 0.86 KDR (0.98) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5958253 0.85 KDR (0.54) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5079406 0.85 KDR (1.00) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5078761 0.85 KDR (1.00) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5082491 0.84 KDR (1.00) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5076104 0.84 KDR (0.83) KDRPDGFRBPDGFRAAURKAHRH3
SCHEMBL5078030 0.83 SMN1; SMN2 (0.62) KDRPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
EP-1226136-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2004-12-29 EP disclosed
US-6794393-B1 inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position MERCK & CO., INC. 2004-09-21 US disclosed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-6306874-B1 ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. MERCK & CO., INC. 2001-10-23 US 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 (3 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-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885PDGFRB 88/4885PDGFRA 171/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885PDGFRB 421/4885PDGFRA 455/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885PDGFRB 88/4885PDGFRA 171/4885

“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.