SCHEMBL5079326

SCHEMBL5079326

CN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.54
KDR P35968 12/20 0.52
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
KCNH2 Q12809 1/20 0.43

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
SCHEMBL27562200 0.85 CHEK1 (0.53) CHEK1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL14012835 0.82 CHEK1 (0.56) CHEK1KDR
SCHEMBL5078784 0.80 ALDH1A1 (0.58) CHEK1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL5078783 0.77 KDR (0.57) CHEK1KDR
SCHEMBL144022 0.77 CHEK1 (0.51) CHEK1KDR
SCHEMBL148399 0.76 KDR (0.62) CHEK1KDR
SCHEMBL146970 0.76 KDR (0.66) CHEK1KDR
SCHEMBL5078767 0.76 CHEK1 (0.73) CHEK1KDR
SCHEMBL5081972 0.76 CHEK1 (0.69) CHEK1KDR
SCHEMBL143284 0.76 KDR (0.65) CHEK1KDRSLC6A2SLC6A4SLC6A3

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 6 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-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 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 (1 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-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885KDR 5/4885SLC6A2 4709/4885

“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.