SCHEMBL12425860

SCHEMBL12425860

CC(C)C1CCC(NC(=O)CC#N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM5A P29375 1/20 0.39
MCL1 Q07820 3/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CCNT1 O60563 3/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CDK9 P50750 3/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
PREP P48147 1/20 0.32
DRD2 P14416 5/20 0.32
HTR2A P28223 5/20 0.32
DRD3 P35462 5/20 0.32
ACACB O00763 1/20 0.31
RORC P51449 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
SCHEMBL23081354 0.92 KMT2A (0.50) KMT2APOLBGAATDP1KDM5A
SCHEMBL23081208 0.92 KMT2A (0.50) KMT2APOLBGAATDP1KDM5A
SCHEMBL14652034 0.90 KMT2A (0.63) KMT2APOLBGAATDP1KDM5A
SCHEMBL23081095 0.80 MTNR1A (0.43) KMT2AKDM5ACYP3A4DRD2
SCHEMBL1963069 0.79
SCHEMBL12424282 0.79 KMT2A (0.60) KMT2APOLBGAATDP1KDM5A
SCHEMBL15625402 0.76 MAOA (0.39) GAACCNT1CDK4CCND1CDK9
SCHEMBL14654974 0.75 KMT2A (0.69) KMT2APOLBGAATDP1MCL1
SCHEMBL25444531 0.74 ATM (0.46) KMT2AALDH1A1
SCHEMBL23119125 0.73 KMT2A (0.53) KMT2APOLBGAATDP1KDM5A

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 1997/4885POLB 660/4885GAA 2545/4885

“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.