SCHEMBL473668

SCHEMBL473668

CCN1CCCC1CNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
IKBKB O14920 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MCHR1 Q99705 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
RAD52 P43351 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MCHR2 Q969V1 1/20 0.40
BACE1 P56817 2/20 0.40
MALT1 Q9UDY8 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL473777 1.00 TSHR (0.45) TSHRKMT2AMEN1IKBKBHSD17B10
SCHEMBL473719 0.86 BRAF (0.47) CHEK1ACHE
SCHEMBL11908797 0.85 GSK3B (0.44) ALDH1A1CHEK1ACHEROCK2
SCHEMBL1979499 0.85 KMT2A (0.48) TSHRKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL1980360 0.85 KMT2A (0.48) TSHRKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL473695 0.84 KDM4E (0.45) TSHRKMT2AMEN1HSD17B10KDM4E
SCHEMBL473748 0.83 CHEK1 (0.44) CHEK1ACHE
SCHEMBL473784 0.81 DYRK1A (0.44) CHEK1ACHE
SCHEMBL473769 0.81 CHEK1 (0.45) TSHRKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL3731620 0.81 ACHE (0.38) IKBKBALDH1A1CHEK1ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP 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
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 (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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 TSHR 109/4885KMT2A 2462/4885MEN1 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.