SCHEMBL4903339

SCHEMBL4903339

Cc1ccnc(-c2nccc(C)c2C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.56
NOS3 P29474 5/20 0.56
CCR1 P32246 4/20 0.46
CCR5 P51681 4/20 0.46
CCR8 P51685 4/20 0.46
UHRF1 Q96T88 1/20 0.36
CYP2A6 P11509 1/20 0.35
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NOS1 P29475 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
METAP2 P50579 1/20 0.32
MAPK8 P45983 1/20 0.32
PLAU P00749 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24200872 0.86 CYP2A6 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11650035 0.86 NOS3 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2482626 0.81 KDM4E (0.50) NOS2NOS3CYP2A6KDM4EMEN1
SCHEMBL15764342 0.81 KDM4E (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL1456526 0.79 NOS3 (0.39) NOS2NOS3CCR1CCR5CCR8
Ammonia Solution, Strong SCHEMBL28695759 0.79 KDM4E (0.48) NOS2NOS3CYP2A6KDM4EMEN1
SCHEMBL29987004 0.79 KDM4E (0.48) NOS2NOS3CYP2A6KDM4EMEN1
SCHEMBL19723441 0.79 NOS3 (0.43) NOS2NOS3CYP2A6L3MBTL1NPC1
SCHEMBL349543 0.78 KDM4E (0.56) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21276032 0.78 CCR1 (0.61) NOS2NOS3CCR1CCR5CCR8

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-9193746-B2 Luminescent metal complexes and associated technology BIOTIUM, INC. (US) 2015-11-24 US claimed
US-20080145526-A1 Luminescent Metal Complexes and Associated Technology BIOTIUM, INC. 2008-06-19 US claimed
WO-2005036667-A1 N-DOPING OF ORGANIC SEMI-CONDUCTORS NOVALED GMBH (DE) 2005-04-21 WO claimed
WO-2017031380-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-23 WO disclosed
US-9193746-B2 Luminescent metal complexes and associated technology BIOTIUM, INC. (US) 2015-11-24 US disclosed
US-20080145526-A1 Luminescent Metal Complexes and Associated Technology BIOTIUM, INC. 2008-06-19 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-20080145526-A1 Luminescent Metal Complexes and Associated Technology CLTA, CLTB, CACYBP NOS2 580/4885NOS3 553/4885CCR1 3826/4885

“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.