SCHEMBL17433449

SCHEMBL17433449

Clc1cnc(/C=C/c2cc3ccc(Br)cc3[nH]2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ METAP2 P50579 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ITK Q08881 1/20 0.34
▸ AHR P35869 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL19180057 1.00 PRMT1 (0.36) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL19179902 0.85 PRMT1 (0.37) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433440 0.85 PRMT1 (0.37) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL19179899 0.84 NOS1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433391 0.84 NOS1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433448 0.84 PRMT1 (0.39) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL19182161 0.84 PRMT1 (0.39) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17422828 0.81 PRMT1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17422829 0.81 PRMT1 (0.41) PRMT1NOS1METAP2DYRK1AITK
SCHEMBL17433388 0.81 AHR (0.45) PRMT1NOS1METAP2DYRK1AITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 PRMT1 2208/4885NOS1 1495/4885METAP2 2548/4885

“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.

Send feedback