SCHEMBL17243765

SCHEMBL17243765

CC(C)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
LMNA P02545 4/20 0.54
CCR1 P32246 4/20 0.54
CCR5 P51681 4/20 0.54
CCR8 P51685 4/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
NPC1 O15118 5/20 0.47
TP53 P04637 4/20 0.47

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
SCHEMBL11399098 0.88 CCR1 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11996115 0.85 CCR1 (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19039501 0.82 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12386860 0.82 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14054103 0.81 ASIC3 (0.53) KDM4ELMNANPC1RAB9AL3MBTL1
SCHEMBL23914094 0.80 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19362627 0.80 CCR1 (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7679401 0.80 CCR1 (0.41) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL28148517 0.79 ASIC3 (0.52) KDM4ELMNANPC1RAB9AL3MBTL1
SCHEMBL9261215 0.78 CTSK (0.50) KDM4ELMNACCR1CCR5CCR8

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-10759994-B2 Luminogenic transition metal-based pyridyl complex and its use CITY UNIVERSITY OF HONG KONG (HK) 2020-09-01 US disclosed
US-20180142144-A1 LUMINOGENIC TRANSITION METAL-BASED PYRIDYL COMPLEX AND ITS USE CITY UNIVERSITY OF HONG KONG (HK) 2018-05-24 US disclosed
US-9181204-B2 Chemical compounds capable of complexing at least one metal element and a coordination complex based on these compounds COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-11-10 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 (2 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-10759994-B2 Luminogenic transition metal-based pyridyl complex and its use TK1, NOX5, PDXK KDM4E 3901/4885LMNA 1746/4885CCR1 3738/4885
US-20180142144-A1 LUMINOGENIC TRANSITION METAL-BASED PYRIDYL COMPLEX AND ITS USE TK1, NOX5, PDXK KDM4E 3901/4885LMNA 1746/4885CCR1 3738/4885

“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.