SCHEMBL2214652

SCHEMBL2214652

O=C(c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CHEK1 O14757 1/20 0.43
ACHE P22303 1/20 0.43
PIM1 P11309 2/20 0.42
TGFBR1 P36897 1/20 0.41
JAK2 O60674 5/20 0.41
ATR Q13535 2/20 0.41
PLK4 O00444 1/20 0.40
MAP4K4 O95819 1/20 0.40
ROS1 P08922 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
MARK3 P27448 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
SCHEMBL11929462 0.93 JAK2 (0.47) RIPK1MAPTMEN1KMT2AABL1
SCHEMBL11929463 0.90 RIPK1 (0.49) RIPK1ABL1BCRMKNK1MKNK2
SCHEMBL2217098 0.87 PIM1 (0.45) RIPK1MAPTMEN1KMT2ACHEK1
SCHEMBL13190687 0.85 PIM1 (0.48) CHEK1ACHEPIM1
SCHEMBL11908137 0.85 WNT1 (0.53) CHEK1ACHE
SCHEMBL11909470 0.84 DRD2 (0.46) ABL1BCRCHEK1ACHE
SCHEMBL11907943 0.84 MKNK1 (0.46) MAPTMKNK1MKNK2CHEK1ACHE
SCHEMBL11907862 0.84 SMN1; SMN2 (0.52)
SCHEMBL11929481 0.84 ATR (0.47) CHEK1ACHEPIM1ATR
SCHEMBL11908018 0.84 PIM1 (0.45) ABL1BCRMKNK1MKNK2CHEK1

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US claimed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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 (2 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 RIPK1 3998/4885MAPT 4868/4885MEN1 1922/4885
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 RIPK1 4021/4885MAPT 4882/4885MEN1 3220/4885

“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.