SCHEMBL21294930

SCHEMBL21294930

CN(C)[C@H]1CC(c2cccc(-c3cnn(C)c3)c2)=CC[C@@H]1NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.39
IRAK1 P51617 10/20 0.39
CREBBP Q92793 1/20 0.38
TNIK Q9UKE5 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
LYN P07948 1/20 0.37
SYK P43405 1/20 0.37
TYRO3 Q06418 1/20 0.37

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
SCHEMBL28487063 0.88 GSK3B (0.46) IRAK4IRAK1CREBBPWNT1GSK3B
SCHEMBL21294822 0.83 AKT1 (0.38)
SCHEMBL21294766 0.82 PIN1 (0.37)
SCHEMBL21296540 0.82 PIN1 (0.37)
SCHEMBL21296534 0.80 KMT2A (0.38)
SCHEMBL21294804 0.78 LMNA (0.41) TNIK
SCHEMBL21306829 0.72 CFTR (0.34) CREBBPSYK
SCHEMBL28486915 0.71 IRAK1 (0.42) IRAK4IRAK1WNT1GSK3BDYRK1A
SCHEMBL21306631 0.70 KAT6A (0.37) CREBBPSYK
SCHEMBL21294791 0.68 TAS1R3 (0.35)

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 IRAK4 3200/4885IRAK1 3240/4885CREBBP 847/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 IRAK4 3274/4885IRAK1 3841/4885CREBBP 701/4885

“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.