SCHEMBL21566486

SCHEMBL21566486

CCc1ccc(N2CCN(C)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.59
HTR6 P50406 3/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR3A P46098 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
BRD4 O60885 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
LMNA P02545 1/20 0.44
ACHE P22303 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
SCHEMBL12806687 0.87 ALDH1A1 (0.60) SIRT6KDM4EALDH1A1NPC1RAB9A
SCHEMBL13185082 0.87 ALK (0.50) SIRT6
SCHEMBL23917111 0.86 SIRT6 (0.55) SIRT6HTR6KDM4EALDH1A1POLB
SCHEMBL13634954 0.85 ALDH1A1 (0.48) SIRT6HTR6KDM4EALDH1A1LMNA
SCHEMBL13634389 0.83 MEN1 (0.52) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL13243994 0.82 SIRT6 (0.63) SIRT6HTR6KDM4EALDH1A1POLB
SCHEMBL12141732 0.81 DPP4 (0.48) ALDH1A1LMNA
SCHEMBL29181083 0.80 SIRT6 (0.63) SIRT6HTR6KDM4EALDH1A1POLB
SCHEMBL12466557 0.79 TTK (0.55) SIRT6HTR6BRD4
SCHEMBL14614703 0.79 KDM4E (0.53) SIRT6KDM4EALDH1A1NPC1RAB9A

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-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 US disclosed
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-14 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-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 SIRT6 2202/4885HTR6 4841/4885KDM4E 752/4885
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 SIRT6 2202/4885HTR6 4841/4885KDM4E 752/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 SIRT6 3434/4885HTR6 889/4885KDM4E 463/4885

“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.