SCHEMBL2215993

SCHEMBL2215993

CCN(CC)CCn1cc(-c2cnc3[nH]c4cnc(-c5cccnc5)cc4c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.53
ACHE P22303 6/20 0.53
PIM1 P11309 8/20 0.43
MAPT P10636 1/20 0.41
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
CYP2E1 P05181 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDPK1 O15530 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL1559867 0.95 CHEK1 (0.51) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL1979638 0.89 PIM1 (0.44) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL13574840 0.88 CHEK1 (0.54) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL2214724 0.86 CHEK1 (0.57) CHEK1ACHEPIM1MAPTPDPK1
SCHEMBL1560912 0.84 CHEK1 (0.56) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL2214638 0.82 CHEK1 (0.57) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL1560955 0.82 CHEK1 (0.59) CHEK1ACHEPIM1CYP3A4PIK3CA
SCHEMBL2217883 0.80 CHEK1 (0.52) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1559893 0.80 CHEK1 (0.49) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL2218322 0.78 CHEK1 (0.49) CHEK1ACHEPIM1PIM3PIM2

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-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
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
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 4362/4885PIM1 2969/4885

“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.