SCHEMBL5082040

SCHEMBL5082040

CN1CCN(C(=O)NCc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.67
CHEK1 O14757 6/20 0.52
TPSAB1 Q15661 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
CHRNA7 P36544 1/20 0.45
F7 P08709 1/20 0.44

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
SCHEMBL5078006 0.90 KDR (0.66) KDRCHEK1TPSAB1HRH4F7
SCHEMBL5079412 0.87 KDR (0.63) KDRCHEK1TPSAB1F7
SCHEMBL144414 0.82 KDR (0.61) KDRCHEK1HRH4
SCHEMBL7252783 0.82 KDR (0.62) KDRCHEK1
SCHEMBL5078878 0.80 KDR (1.00) KDRCHEK1HRH4
SCHEMBL6864116 0.80 CHEK1 (0.55) KDRCHEK1
SCHEMBL5079415 0.79 KDR (0.53) KDRCHEK1MEN1KMT2AF7
SCHEMBL5076136 0.79 KDR (0.53) KDRCHEK1MEN1KMT2A
SCHEMBL5076112 0.78 CHEK1 (0.71) KDRCHEK1
SCHEMBL5078783 0.77 KDR (0.57) KDRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 5/4885CHEK1 499/4885TPSAB1 2718/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885TPSAB1 2718/4885

“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.