SCHEMBL12424282

SCHEMBL12424282

CC1CCC(NC(=O)CC#N)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 3/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.37
KDM5A P29375 1/20 0.36
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23119125 0.90 KMT2A (0.53) KMT2AGAAPOLBTDP1MCL1
SCHEMBL23081206 0.90 KMT2A (0.53) KMT2AGAAPOLBTDP1MCL1
SCHEMBL14654974 0.89 KMT2A (0.69) KMT2AGAAPOLBTDP1MCL1
SCHEMBL1963069 0.83
SCHEMBL12425860 0.79 KMT2A (0.55) KMT2AGAAPOLBTDP1MCL1
SCHEMBL18972807 0.78 MTNR1A (0.46) KMT2AGAACYP3A4EPHX1RAB9A
SCHEMBL13349453 0.78 MTNR1A (0.46) KMT2AGAACYP3A4EPHX1RAB9A
SCHEMBL23080984 0.78 MTNR1A (0.46) KMT2AGAACYP3A4EPHX1RAB9A
SCHEMBL9129119 0.77 KMT2A (0.71) KMT2AGAAPOLBTDP1MCL1
SCHEMBL9129124 0.77 KMT2A (0.71) KMT2AGAAPOLBTDP1MCL1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KMT2A 1997/4885GAA 2545/4885POLB 660/4885

“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.