SCHEMBL17440928

SCHEMBL17440928

COc1ccc(COc2cc(Br)cc3[nH]ncc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
IDO1 P14902 5/20 0.44
TDO2 P48775 4/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
METAP2 P50579 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NOD2 Q9HC29 1/20 0.40
CCR5 P51681 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL19249081 0.82 MAPT (0.46) IDO1TDO2NPC1RAB9AMAPT
SCHEMBL17440877 0.82 MAOB (0.46) MAOBCNR2CNR1NPC1RAB9A
SCHEMBL19249082 0.81 RXRA (0.48) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL2008097 0.78 IDO1 (0.56) IDO1TDO2METAP2
SCHEMBL29990549 0.78 IDO1 (0.56) IDO1TDO2METAP2
SCHEMBL21187309 0.76 KIT (0.44) MAOBNPC1RAB9ANTRK1CSF1R
SCHEMBL17441894 0.76 TDO2 (0.47) IDO1TDO2
SCHEMBL24882750 0.75 CSF1R (0.38) MAOBCNR2CNR1NPC1RAB9A
SCHEMBL19248986 0.75 CCR5 (0.48) IDO1TDO2NPC1RAB9AMAPT
SCHEMBL21177909 0.74 PDE2A (0.43) MAOBNPC1RAB9ANTRK1CSF1R

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-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (4 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 MAOB 4596/4885IDO1 2532/4885TDO2 4666/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 MAOB 4596/4885IDO1 2532/4885TDO2 4666/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 MAOB 4702/4885IDO1 2524/4885TDO2 4645/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 MAOB 4702/4885IDO1 2524/4885TDO2 4645/4885

“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.