SCHEMBL3006569

SCHEMBL3006569

CCOC(=O)c1cn(CCN2CCN(C)CC2)c2ccc(I)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HPGD P15428 3/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CNR1 P21554 3/20 0.45
CNR2 P34972 1/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3001319 0.93 LMNA (0.54) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1553117 0.91 HPGD (0.56) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL13008008 0.86 ALDH1A1 (0.51) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4141591 0.86 LMNA (0.61) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL2996084 0.85 HPGD (0.53) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3004121 0.85 LMNA (0.60) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3003778 0.84 HPGD (0.54) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL13048082 0.84 LMNA (0.58) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1552946 0.84 LMNA (0.58) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1429954 0.84 LMNA (0.74) LMNAHPGDKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 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 (3 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD LMNA 1717/4885HPGD 29/4885KDM4E 3882/4885
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 LMNA 2498/4885HPGD 121/4885KDM4E 2695/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 LMNA 2705/4885HPGD 137/4885KDM4E 2874/4885

“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.