SCHEMBL3862465

SCHEMBL3862465

CC(C)CNc1c(N)cnc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 3/20 0.34
TTK P33981 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CSF1R P07333 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL30074838 0.85 EGFR (0.39) GAANPSR1RXFP1HTTEGFR
SCHEMBL21949825 0.85 EGFR (0.39) GAANPSR1RXFP1HTTEGFR
SCHEMBL10728735 0.84 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6MAP4K4
SCHEMBL26619828 0.82 LMNA (0.46) HTTLMNASMN1; SMN2ALK
SCHEMBL6220466 0.81 GAA (0.35) GAANPSR1RXFP1HTTLMNA
SCHEMBL31197374 0.80 ACP1 (0.47) GAAKDM4EMAPTCYP1A2CYP2D6
SCHEMBL4725461 0.80 ACP1 (0.47) GAAKDM4EMAPTCYP1A2CYP2D6
SCHEMBL31197376 0.80 ACP1 (0.47) GAAKDM4EMAPTCYP1A2CYP2D6
SCHEMBL3864507 0.80 DYRK1A (0.32) GAANPSR1RXFP1HTTHRH4
SCHEMBL4524933 0.79 ALDH1A1 (0.40) GAANPSR1RXFP1HTTLMNA

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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 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 GAA 1193/4885NPSR1 3570/4885RXFP1 3990/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 GAA 1193/4885NPSR1 3570/4885RXFP1 3990/4885

“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.