SCHEMBL2214724

SCHEMBL2214724

CCN(CC)CCn1cc(-c2cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.57
ACHE P22303 4/20 0.57
MAPT P10636 1/20 0.44
PIM1 P11309 4/20 0.43
ALK Q9UM73 10/20 0.41
PDPK1 O15530 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL1979788 0.88 CHEK1 (0.47) CHEK1ACHEMAPTPIM1
SCHEMBL2215993 0.86 CHEK1 (0.53) CHEK1ACHEMAPTPIM1PDPK1
SCHEMBL12666733 0.85 CHEK1 (0.69) CHEK1ACHEMAPTPIM1
SCHEMBL2216558 0.82 CHEK1 (0.54) CHEK1ACHEMAPTPIM1
SCHEMBL1559867 0.81 CHEK1 (0.51) CHEK1ACHEMAPTPIM1
SCHEMBL1561400 0.81 CHEK1 (0.60) CHEK1ACHEMAPTPIM1ALK
SCHEMBL1559826 0.79 PIM1 (0.43) CHEK1ACHEMAPTPIM1
SCHEMBL1979638 0.77 PIM1 (0.44) CHEK1ACHEMAPTPIM1
SCHEMBL473684 0.74 CHEK1 (0.58) CHEK1ACHEMAPTPIM1
SCHEMBL12666721 0.73 CHEK1 (0.56) CHEK1ACHEMAPTPIM1ALK

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US claimed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885ACHE 4362/4885MAPT 4868/4885

“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.