SCHEMBL14723455

SCHEMBL14723455

N#Cc1cc(Cl)cc2c1c(I)nn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.37
ATR Q13535 2/20 0.34
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31

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
SCHEMBL31393128 0.87 RET (0.36) RETATRRXRARXRBRXRG
SCHEMBL14722631 0.86 RET (0.39) RETATRRXRARXRBRXRG
SCHEMBL14723265 0.82 RET (0.36) RETATRRXRARXRBRXRG
SCHEMBL29233750 0.80 ATR (0.36) RETATRRXRARXRBRXRG
SCHEMBL31393200 0.78 RXRA (0.34) RETRXRARXRBRXRGCYP4F2
SCHEMBL5616694 0.78 RET (0.38) RETATRRXRARXRBRXRG
SCHEMBL31190705 0.77 CYP4F2 (0.35) RETRXRARXRBRXRGCYP4F2
SCHEMBL31393059 0.77 RET (0.35) RETRXRARXRBRXRGCYP4F2
SCHEMBL24802947 0.74 CYP4F2 (0.36) RETATRRXRARXRBRXRG
SCHEMBL31393087 0.74 RET (0.35) RETRXRARXRBRXRGCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 WO 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 RET 97/4885ATR 128/4885RXRA 1879/4885

“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.