SCHEMBL6803952

SCHEMBL6803952

Nc1cc(N2CCN(CCN3CCCC3)CC2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
AKT1 P31749 7/20 0.49
RPS6KB1 P23443 6/20 0.49
SIGMAR1 Q99720 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
HRH4 Q9H3N8 3/20 0.41
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL6800730 0.88 KDR (0.53) KDRAKT1RPS6KB1SMN1; SMN2TLR7
SCHEMBL807662 0.86 TSHR (0.48) AKT1HRH4TSHRSMN1; SMN2ALOX15
SCHEMBL807296 0.84 SMN1; SMN2 (0.50) AKT1HRH4NPC1TSHRRECQL
SCHEMBL30579439 0.84 SMN1; SMN2 (0.50) AKT1HRH4NPC1TSHRRECQL
SCHEMBL6803221 0.84 KDR (0.55) KDRAKT1RPS6KB1SMN1; SMN2TLR7
SCHEMBL5889085 0.83 SMN1; SMN2 (0.53) AKT1HRH4NPC1TSHRRECQL
SCHEMBL2075530 0.82 KIT (0.48) AKT1SMN1; SMN2TLR7
SCHEMBL6801091 0.82 MAP4K4 (0.57) KDRAKT1HRH4TLR7
SCHEMBL19004851 0.81 AKT1 (0.47) AKT1HRH4NPC1TSHRRECQL
SCHEMBL30662621 0.80 MKNK1 (0.46) KDRAKT1RPS6KB1HRH4TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 5/4885AKT1 85/4885RPS6KB1 308/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885AKT1 85/4885RPS6KB1 308/4885

“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.