SCHEMBL2601680

SCHEMBL2601680

C#CCCCCOc1cccnc1[18F]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA6 Q15825 1/20 0.40
CHRNA4 P43681 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
EGFR P00533 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL19952884 0.95 CHRNB2 (0.40) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2601667 0.80 CHRNB2 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL23028310 0.78 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL20247449 0.77 CHRNB2 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL4807186 0.77 HTR1B (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3433200 0.75 KDM4E (0.55) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL12893078 0.75 CHRNB2 (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2605604 0.75 S1PR4 (0.56) MEN1KMT2ARECQLNPC1RAB9A
SCHEMBL919910 0.74 L3MBTL1 (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3770772 0.73 ADRB2 (0.34) MEN1KMT2ACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 MEN1 231/4885KMT2A 2156/4885CYP1A2 2062/4885

“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.