SCHEMBL14723512

SCHEMBL14723512

Cc1cc(CN)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
PDE1A P54750 5/20 0.36
PDE1B Q01064 5/20 0.36
PDE1C Q14123 5/20 0.36
GAA P10253 1/20 0.34
ATR Q13535 5/20 0.34
RET P07949 2/20 0.33
PDE9A O76083 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
SCHEMBL14722690 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL15217697 0.83 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL14723281 0.82 RXRA (0.40) RXRARXRBRXRGALDH1A1POLB
SCHEMBL3868044 0.81 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL30860811 0.81 CYP4F2 (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL14723573 0.81 CYP4F2 (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL14723051 0.79 ATR (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL30861043 0.77 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL27228021 0.77 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1290827 0.76 ALDH1A1 (0.46) RXRARXRBRXRGALDH1A1POLB

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 9 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-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US 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
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 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
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 RXRA 1879/4885RXRB 1556/4885RXRG 2253/4885

“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.