SCHEMBL12424641

SCHEMBL12424641

CC1CCC(NCCC#N)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK1 P23458 4/20 0.32
JAK2 O60674 3/20 0.32
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL23889394 0.96 TSHR (0.36) TSHRL3MBTL1JAK1JAK2TYK2
SCHEMBL21782065 0.88 ALDH1A1 (0.38) TSHRJAK1JAK2TYK2JAK3
SCHEMBL15014481 0.88 ALDH1A1 (0.38) TSHRJAK1JAK2TYK2JAK3
SCHEMBL12424474 0.86 THRB (0.31)
SCHEMBL5831087 0.81 JAK1 (0.39) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL1190555 0.81
SCHEMBL19984888 0.80 JAK1 (0.31) JAK1JAK2
SCHEMBL23889536 0.79 JAK2 (0.30) JAK1JAK2
SCHEMBL12424631 0.78 JAK1 (0.33) JAK1JAK2TYK2JAK3
SCHEMBL21781847 0.76 JAK1 (0.38) JAK1JAK2TYK2JAK3

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (1 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TSHR 1082/4885L3MBTL1 3165/4885JAK1 434/4885

“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.