SCHEMBL4243255

SCHEMBL4243255

COC(=O)c1cn(-c2cc(C)nc3ccccc23)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
PLIN1 O60240 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
PLIN5 Q00G26 1/20 0.46
MCL1 Q07820 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4060534 0.85 KDM4E (0.46) NR4A2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4240364 0.84 NR4A2 (0.56) NR4A2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4240199 0.81 L3MBTL1 (0.43) NR4A2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4239994 0.81 NR4A2 (0.60) NR4A2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL8348273 0.81 NCF1 (0.44) KMT2AMEN1LMNAL3MBTL1NCF1
SCHEMBL6082756 0.80 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL4239878 0.80 NR4A2 (0.59) NR4A2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL31295407 0.78 KDM4E (0.70) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL12903095 0.78 KDM4E (0.70) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL17782448 0.77 NR4A2 (0.70) NR4A2KMT2AKDM4EMEN1ALDH1A1

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-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
EP-1530566-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2005-05-18 EP disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 US disclosed
WO-2004007479-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C NR4A2 2855/4885KMT2A 3073/4885KDM4E 1286/4885

“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.