SCHEMBL3867644

SCHEMBL3867644

Nc1cnc2cc(Br)ccc2c1NCCCCNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.40
MAPK1 P28482 1/20 0.40
CSF1R P07333 1/20 0.38
BCHE P06276 7/20 0.38
ACHE P22303 7/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NQO2 P16083 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL5319030 0.98 MAPK1 (0.40) RXFP1MAPK1CSF1RBCHEACHE
SCHEMBL3861888 0.93 MAPK1 (0.41) RXFP1MAPK1CSF1RBCHEACHE
SCHEMBL3169059 0.84 POLB (0.43) RXFP1MAPK1CSF1RCYP1A2CYP3A4
SCHEMBL3861875 0.84 CYP1A2 (0.42) RXFP1MAPK1CSF1RBCHEACHE
SCHEMBL6219586 0.83 MAPK1 (0.40) RXFP1MAPK1CSF1RBCHEACHE
SCHEMBL1950078 0.83 POLB (0.46) BCHEACHEGAAKDM4EALDH1A1
SCHEMBL3862617 0.83 EGFR (0.41) RXFP1CSF1RCYP1A2CYP2D6HDAC3
SCHEMBL3868941 0.82 MAPT (0.43) RXFP1MAPK1BCHEACHEGAA
SCHEMBL3868943 0.82 MAPT (0.43) RXFP1MAPK1BCHEACHEGAA
SCHEMBL203808 0.82 STK17B (0.44) MAPK1BCHEACHECYP2D6EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 RXFP1 3990/4885MAPK1 2202/4885CSF1R 294/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 RXFP1 3990/4885MAPK1 2202/4885CSF1R 294/4885

“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.