SCHEMBL2953572

SCHEMBL2953572

Cc1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccnc2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
TDO2 P48775 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CHUK O15111 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
EIF2AK2 P19525 1/20 0.39
TOP2A P11388 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 1/20 0.38
PTK6 Q13882 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL2959234 0.90 NR1H2 (0.47) KIF11PTGDR2TDO2CCNB2CDK1
SCHEMBL2959852 0.88 KIF11 (0.42) KIF11PTGDR2TDO2CCNB2CDK1
SCHEMBL317746 0.86 PTGDR2 (0.53) PTGDR2GSK3BCDK5CDK5R1EIF2AK2
SCHEMBL2961945 0.81 NR1H2 (0.47) PTGDR2NR1H2NR1H3EIF2AK2
SCHEMBL317661 0.79 PTGDR2 (0.54) KIF11PTGDR2NR1H2NR1H3
SCHEMBL2955003 0.76 MAPK14 (0.47) KIF11PTGDR2CCNB2CDK1CCNB1
SCHEMBL317801 0.76 PTGDR2 (0.53) KIF11PTGDR2CCNB2CDK1CCNB1
SCHEMBL2961361 0.75 NR1H2 (0.62) PTGDR2NR1H2NR1H3
SCHEMBL2961347 0.74 PTGDR2 (0.44) PTGDR2CDK5CDK5R1NR1H2NR1H3
SCHEMBL2952908 0.73 PTGDR2 (0.51) PTGDR2GSK3BCDK5CDK5R1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 KIF11 2584/4885PTGDR2 429/4885TDO2 11/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 KIF11 4239/4885PTGDR2 54/4885TDO2 327/4885

“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.