SCHEMBL8510476

SCHEMBL8510476

[CH2]N1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
RIPK1 Q13546 1/20 0.38
MAPT P10636 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
IDE P14735 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
SCHEMBL10722471 0.89 MEN1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL673083 0.89
SCHEMBL12788630 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL188325 0.80 CYP1A2 (0.54) MEN1KMT2AHTTRIPK1HDAC6
SCHEMBL28719837 0.80 MEN1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15499208 0.80 MEN1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11922834 0.80 CYP1A2 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12264424 0.79 KMT2A (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL803077 0.79 RIPK1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL803076 0.79 RIPK1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1

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-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MEN1 3601/4885KMT2A 3701/4885NPC1 4341/4885

“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.