SCHEMBL5496575

SCHEMBL5496575

CN(C)CCOc1ccc(I)cc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 13/20 0.74
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
LRRK2 Q5S007 2/20 0.49
TRPV4 Q9HBA0 1/20 0.49
SCN8A Q9UQD0 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48

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
SCHEMBL15529774 0.88 RXFP1 (0.90) RXFP1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL15529490 0.85 RXFP1 (1.00) RXFP1
SCHEMBL21416908 0.83 RXFP1 (0.52) RXFP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL15529831 0.82 RXFP1 (0.90) RXFP1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL15529412 0.80 RXFP1 (1.00) RXFP1
SCHEMBL22339895 0.80 RXFP1 (0.68) RXFP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL14112992 0.79 CYP1A2 (0.61) RXFP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5494543 0.79 LCK (0.70) RXFP1
SCHEMBL330133 0.76 P2RX1 (0.73) RXFP1MEN1KMT2AMAPT
SCHEMBL5496719 0.76 RXFP1 (0.60) RXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 RXFP1 3174/4885CYP1A2 312/4885CYP3A4 622/4885

“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.