SCHEMBL5495891

SCHEMBL5495891

Cc1cc(N2CCNC2=O)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
TSHR P16473 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.43
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
THRB P10828 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CMA1 P23946 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3926911 0.85 ADRB1 (0.51) TSHRALKBH5CYP3A4CYP2C9THRB
SCHEMBL18640602 0.81 ALDH1A1 (0.38) POLBCYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL31129874 0.79 MEN1 (0.41) POLBCYP3A4CYP2C9THRBSUV39H2
SCHEMBL8257893 0.77 ALDH1A1 (0.42) POLBCYP3A4CYP2C9ADRB1ALDH1A1
SCHEMBL851118 0.77 POLB (0.54) POLBTSHRALKBH5ALDH1A1LMNA
SCHEMBL4056377 0.75 GLA (0.41) POLBTSHRCYP3A4ALDH1A1LMNA
SCHEMBL2883318 0.75 ADRB1 (0.47) POLBADRB1SMN1; SMN2MAPTMEN1
SCHEMBL849389 0.74 POLB (0.48) POLBTSHRALKBH5ALDH1A1LMNA
SCHEMBL30731240 0.74 LMNA (0.57) POLBTSHRCYP3A4CYP2C9ALDH1A1
SCHEMBL8144111 0.74 LMNA (0.57) POLBTSHRCYP3A4CYP2C9ALDH1A1

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
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
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 POLB 1994/4885TSHR 2958/4885ALKBH5 1372/4885

“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.