SCHEMBL2616888

SCHEMBL2616888

CC(=O)C1Cc2ccccc2CN1P

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 3/20 0.43
PREP P48147 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HSD17B3 P37058 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 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
SCHEMBL2616891 0.84 ACE (0.50) TDP1POLBAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL12878828 0.82 CHEK1 (0.45) NOTUMPOLBACECHEK1JAK2
SCHEMBL10116499 0.81 NOTUM (0.48) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL8278531 0.81 NOTUM (0.48) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL16316395 0.79 TDP1 (0.56) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL21700187 0.79 NOTUM (0.47) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL10445427 0.77 GLA (0.45) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL14569615 0.77 ACE (0.47) NOTUMTDP1POLBAPOBEC3AAPOBEC3G
SCHEMBL13998788 0.72 MMP2 (0.39)
SCHEMBL4113622 0.71 ACE (0.66) NOTUMTDP1POLBAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK NOTUM 2504/4885TDP1 586/4885POLB 1689/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 NOTUM 2869/4885TDP1 242/4885POLB 760/4885

“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.