SCHEMBL5889032

SCHEMBL5889032

Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 2/20 0.53
RECQL P46063 1/20 0.53
SMO Q99835 1/20 0.53
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 1/20 0.48
MEN1 O00255 1/20 0.47
KMO O15229 1/20 0.47
DCK P27707 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.43
RET P07949 1/20 0.43
NAMPT P43490 1/20 0.43
RIPK1 Q13546 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL6803895 0.86 DCK (0.59) TSHRALDH1A1KDM4ETDP1KMT2A
SCHEMBL6800730 0.82 KDR (0.53) KDM4EKMOSMN1; SMN2TLR7
SCHEMBL807666 0.78 CYP2C19 (0.58) ALDH1A1KDM4EKMT2AMEN1KMO
SCHEMBL6803221 0.78 KDR (0.55) KMOSMN1; SMN2MAPTTLR7
SCHEMBL20445971 0.76 KMO (0.44) ALDH1A1KMOSMN1; SMN2RIPK1
SCHEMBL5889087 0.75 KDR (0.76)
SCHEMBL5889086 0.74 MAP4K4 (0.54) ALDH1A1KDM4ESMO
SCHEMBL31717947 0.73 HSD17B10 (1.00) TSHRALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL30828973 0.73 CYP2C19 (0.53) ALDH1A1KDM4EKMOSMN1; SMN2MAPT
SCHEMBL26647473 0.73 CYP2C19 (0.53) ALDH1A1KDM4EKMOSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TSHR 1987/4885ALOX15 1869/4885HSD17B10 3120/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TSHR 1987/4885ALOX15 1869/4885HSD17B10 3120/4885

“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.