SCHEMBL8514033

SCHEMBL8514033

CC(C)(C)C(=O)N1CCN(Cc2ccc(N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.54
HRH3 Q9Y5N1 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL15652315 0.90 LMNA (0.55) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL3243026 0.86 ATM (0.61) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL20665487 0.86 ALDH1A1 (0.55) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL8186898 0.84 ALDH1A1 (0.74) LMNAALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL3916831 0.83 HRH3 (0.76) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL19002248 0.82 POLB (0.64) LMNAALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL188249 0.82 KMT2A (0.54) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL265853 0.81 VEGFA (0.55) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL5031225 0.81 LMNA (0.59) LMNAALDH1A1KMT2AHRH3SMN1; SMN2
SCHEMBL18997537 0.80 ALDH1A1 (0.49) LMNAALDH1A1KMT2AHRH3SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
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
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US 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 LMNA 4499/4885ALDH1A1 1119/4885KMT2A 3701/4885

“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.