SCHEMBL2139205

SCHEMBL2139205

C#Cc1ccnc(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
ULK1 O75385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCE Q02156 1/20 0.43
CAMK2G Q13555 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
RPS6KA1 Q15418 1/20 0.43

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
SCHEMBL29004 0.84 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9715965 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3057324 0.81 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL230110 0.75 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19994989 0.74 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30835131 0.73 GRM5 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17045822 0.73 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28853259 0.72 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6769901 0.72 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL728770 0.72 KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO KDM4E 3436/4885LMNA 4358/4885CCR1 3427/4885

“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.