SCHEMBL352525

SCHEMBL352525

NCc1ccnc(-c2cc(CN)ccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 17/20 0.61
LOX P28300 5/20 0.61
LOXL3 P58215 1/20 0.61
ROCK1 Q13464 1/20 0.47
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
ADRB2 P07550 1/20 0.40

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
SCHEMBL7036361 0.88 LOXL2 (0.56) LOXL2LOXLOXL3CCR1CCR5
SCHEMBL30485802 0.88 LOXL2 (0.56) LOXL2LOXLOXL3CCR1CCR5
SCHEMBL29978828 0.88 CCR1 (0.65) LOXL2LOXLOXL3CCR1CCR5
SCHEMBL5991845 0.83 LOXL2 (0.70) LOXL2LOXLOXL3
SCHEMBL14303459 0.82 LOXL2 (0.64) LOXL2LOXLOXL3ROCK1ADRB2
SCHEMBL17923476 0.82 LOXL2 (0.72) LOXL2
SCHEMBL18233498 0.80 LOXL2 (0.62) LOXL2LOXLOXL3
SCHEMBL28505430 0.80 LOXL2 (0.58) LOXL2LOXLOXL3ROCK1ADRB2
SCHEMBL18049349 0.80 LOXL2 (0.62) LOXL2LOXLOXL3
SCHEMBL4107151 0.80 LOXL2 (0.61) LOXL2LOXLOXL3ROCK1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016071465-A1 LUMINESCENT RUTHENIUM (II) COMPLEXES AND THEIR USE IN PH SENSORS TAP BIOSYSTEMS (PHC) LIMITED (GB) 2016-05-12 WO disclosed
US-8951400-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2015-02-10 US disclosed
WO-2012012537-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-26 WO disclosed
US-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-19 US 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-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS SSBP1, OSGEP, OCIAD2 LOXL2 2384/4885LOX 1498/4885LOXL3 2462/4885

“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.