SCHEMBL188249

SCHEMBL188249

CC(C)(C)C(=O)N1CCN(Cc2cc[c]cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FAAH O00519 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL8186898 0.84 ALDH1A1 (0.74) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL20665487 0.83 ALDH1A1 (0.55) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL3243026 0.83 ATM (0.61) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL2477809 0.83 HRH3 (0.71) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL27862081 0.82 VEGFA (0.53) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL8514033 0.82 LMNA (0.57) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL19002248 0.79 POLB (0.64) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL188521 0.79 ALDH1A1 (0.54) KMT2AALDH1A1LMNAHRH3MEN1
SCHEMBL28817977 0.78 ALDH1A1 (0.65) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL18997537 0.77 ALDH1A1 (0.49) KMT2AALDH1A1LMNAHRH3SMN1; SMN2

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 4 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
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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 KMT2A 3701/4885ALDH1A1 1119/4885LMNA 4499/4885

“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.