SCHEMBL4500837

SCHEMBL4500837

CN(C)CCNC(=O)N1CC[CH]CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTT P42858 3/20 0.38
USP2 O75604 1/20 0.37
DNM1 Q05193 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
LGALS1 P09382 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
SCHEMBL4203477 0.90 USP2 (0.35) KMT2AHTTUSP2DNM1NAMPT
SCHEMBL30753853 0.84 KMT2A (0.45) KMT2AHTTDNM1TDP1EPHX2
SCHEMBL27748816 0.82 EPHX2 (0.44) KMT2AHTTDNM1TDP1EPHX2
SCHEMBL5572067 0.80 KMT2A (0.54) KMT2AHTTTDP1CYP2C19NAMPT
SCHEMBL13160340 0.79 ALDH1A1 (0.49) KMT2ACYP2C19
SCHEMBL11032609 0.79 HTT (0.61) KMT2AHTTSMN1; SMN2
SCHEMBL10673469 0.79 KMT2A (0.46) KMT2AHTTDNM1TDP1MAPK1
SCHEMBL4555741 0.76 HTT (0.57) KMT2AHTTTDP1NAMPTMAPK1
SCHEMBL5238596 0.76 KMT2A (0.72) KMT2AHTTTDP1SMN1; SMN2MAPK1
SCHEMBL2603259 0.76 KMT2A (0.42) KMT2AHTTDNM1TDP1CYP2C19

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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 KMT2A 1807/4885HTT 4182/4885USP2 3279/4885

“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.