SCHEMBL19604359

SCHEMBL19604359

CC(C)n1nnc2c1-c1ccccc1CN(C(=O)C(C)(C)C)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RIPK1 Q13546 2/20 0.36
MAP3K5 Q99683 1/20 0.34
NOTUM Q6P988 1/20 0.34
TOP2A P11388 1/20 0.34
MAPT P10636 3/20 0.33
HSD17B3 P37058 2/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21366311 0.96 KMT2A (0.39) KMT2AMEN1RIPK1MAP3K5NOTUM
SCHEMBL24349696 0.89 NOTUM (0.46) MAP3K5NOTUMTOP2AHSD17B3CYP2C9
SCHEMBL24408083 0.86 TOP2A (0.38) KMT2AMEN1MAP3K5NOTUMTOP2A
SCHEMBL16202457 0.85 KMT2A (0.39) KMT2AMEN1RIPK1NOTUMMAPT
SCHEMBL23280914 0.84 KDM4E (0.48) KMT2AMEN1MAP3K5NOTUMTOP2A
SCHEMBL22512575 0.84 HSD17B3 (0.48) NOTUMMAPTHSD17B3ALDH1A1CYP2C9
SCHEMBL21396376 0.83 SMN1; SMN2 (0.37) KMT2AMEN1MAP3K5NOTUMTOP2A
SCHEMBL25011607 0.83 RIPK1 (0.34) KMT2AMEN1RIPK1MAP3K5NOTUM
SCHEMBL19687876 0.83 KMT2A (0.34) KMT2AMEN1RIPK1NOTUMHSD17B3
SCHEMBL25890666 0.83 KMT2A (0.37) KMT2AMEN1RIPK1NOTUMHSD17B3

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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-11-16 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-20170326250-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF MKI67, CCNI, PA2G4 KMT2A 2811/4885MEN1 846/4885RIPK1 3746/4885

“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.