SCHEMBL2216275

SCHEMBL2216275

Fc1cnc2[nH]c3cnc(-c4cn[nH]c4)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.46
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
WNT1 P04628 1/20 0.41
TGFBR1 P36897 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.36
CHEK1 O14757 7/20 0.36
ACHE P22303 3/20 0.36
FEN1 P39748 1/20 0.34
MAP3K8 P41279 1/20 0.34

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
SCHEMBL473697 0.76 CHEK1 (0.56) PIM1PIM3PIM2WNT1CLK2
SCHEMBL1561318 0.76 NPC1 (0.39) MAPTCHEK1ACHEMAP3K8
SCHEMBL1560453 0.76 DYRK1A (0.46) PIM1WNT1TGFBR1CLK2CLK3
SCHEMBL473684 0.75 CHEK1 (0.58) PIM1PIM3PIM2WNT1CLK2
SCHEMBL1560506 0.75 PIM1 (0.64) PIM1PIM3PIM2CLK2CLK3
SCHEMBL13572727 0.74 CHEK1 (0.43) MAPTCHEK1ACHEFEN1
SCHEMBL1559848 0.74 PIM1 (0.40) PIM1WNT1CLK2DYRK1ACHEK1
SCHEMBL20685590 0.73 ACHE (0.54) MAPTMAPK1CHEK1ACHEFEN1
SCHEMBL473757 0.72 GABRA1 (0.50) CHEK1ACHE
SCHEMBL473696 0.72 CHEK1 (0.48) CHEK1

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 PIM1 2969/4885PIM3 1240/4885PIM2 3258/4885

“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.