SCHEMBL14723573

SCHEMBL14723573

Cc1cc(Br)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.36
RET P07949 2/20 0.36
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 0.35
ATR Q13535 5/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.33
MEN1 O00255 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
SCHEMBL30860811 1.00 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14723428 0.85 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30811750 0.85 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128154 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15209141 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17731741 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128164 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29561854 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14723051 0.82 ATR (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25795329 0.82 RXRA (0.46) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
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 (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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 CYP4F2 4767/4885CYP4A11 4739/4885RXRA 4745/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 CYP4F2 4881/4885CYP4A11 4771/4885RXRA 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.