SCHEMBL14723265

SCHEMBL14723265

N#Cc1cccc2c1c(I)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.36
ATR Q13535 2/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MAP3K5 Q99683 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
DGAT2 Q96PD7 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
SCHEMBL14722738 0.85 GAA (0.40) RETATRCYP4F2CYP4A11ALDH1A1
SCHEMBL5616694 0.83 RET (0.38) RETATRCYP4F2CYP4A11RXRA
SCHEMBL31190729 0.82 CYP4F2 (0.37) RETCYP4F2CYP4A11ALDH1A1RXRA
SCHEMBL31484933 0.82 CYP4F2 (0.39) RETATRCYP4F2CYP4A11ALDH1A1
SCHEMBL31190796 0.82 P2RX7 (0.38) RETCYP4F2CYP4A11ALDH1A1RXRA
SCHEMBL15568853 0.82 CYP4F2 (0.39) RETATRCYP4F2CYP4A11ALDH1A1
SCHEMBL14722724 0.82 RET (0.36) RETATRCYP4F2CYP4A11ALDH1A1
SCHEMBL14723455 0.82 RET (0.37) RETATRCYP4F2CYP4A11RXRA
SCHEMBL31393128 0.81 RET (0.36) RETATRCYP4F2CYP4A11RXRA
SCHEMBL31190681 0.80 CYP4F2 (0.35) RETCYP4F2CYP4A11RXRARXRB

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 128/4885CYP4F2 4881/4885

“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.