SCHEMBL16368591

SCHEMBL16368591

CC(CO)CCNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12269251 0.77 THRB (0.43) TSHRLMNATDP1CNR1ADRA1A
SCHEMBL4612003 0.76
SCHEMBL23902088 0.76 CYP2D6 (0.30) CYP2D6HIF1A
SCHEMBL18868458 0.76 CYP2D6 (0.30) CYP2D6HIF1A
SCHEMBL3095435 0.75 LMNA (0.31) TSHRLMNATDP1CNR1ADRA1A
SCHEMBL23902015 0.74
SCHEMBL23902022 0.74
SCHEMBL22965641 0.74 LMNA (0.38) LMNACYP2D6
SCHEMBL22043236 0.74 ALDH1A1 (0.32)
SCHEMBL23902020 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 TSHR 3456/4885LMNA 2696/4885TDP1 985/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 TSHR 2409/4885LMNA 2436/4885TDP1 808/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 TSHR 2089/4885LMNA 1480/4885TDP1 1082/4885

“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.