SCHEMBL3704116

SCHEMBL3704116

CCOC(=O)c1cn(CC)c2nc(F)c(I)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5962217 0.85 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL3977245 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL8941946 0.81 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL11286741 0.81 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL5962143 0.80 LMNA (0.48) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL9775932 0.80 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL5962206 0.79 KMT2A (0.38) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL11283380 0.79 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL10413352 0.79 KMT2A (0.58) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL3979515 0.79 LMNA (0.52) ALDH1A1TSHRSMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 ALDH1A1 847/4885TSHR 3472/4885SMN1; SMN2 3639/4885

“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.