SCHEMBL2959852

SCHEMBL2959852

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
MAP3K14 Q99558 1/20 0.41
VDR P11473 1/20 0.41
EIF2AK2 P19525 4/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CHUK O15111 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TDO2 P48775 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.89 NR1H2 (0.47) KIF11CCNB2CDK1CCNB1GSK3B
SCHEMBL2953572 0.88 KIF11 (0.43) KIF11EIF2AK2CCNB2CDK1CCNB1
SCHEMBL2961347 0.85 PTGDR2 (0.44) MAP3K14EIF2AK2CDK5CDK5R1PTGDR2
SCHEMBL317189 0.85 PTGDR2 (0.53) MAP3K14EIF2AK2PTGDR2NR1H2NR1H3
SCHEMBL317159 0.80 NR1H2 (0.55) MAP3K14EIF2AK2PTGDR2NR1H2NR1H3
SCHEMBL317661 0.78 PTGDR2 (0.54) KIF11PTGDR2NR1H2NR1H3
SCHEMBL2961945 0.77 NR1H2 (0.47) EIF2AK2PTGDR2NR1H2NR1H3LMNA
SCHEMBL317801 0.75 PTGDR2 (0.53) KIF11CCNB2CDK1CCNB1GSK3B
SCHEMBL2961361 0.74 NR1H2 (0.62) PTGDR2NR1H2NR1H3
SCHEMBL317746 0.73 PTGDR2 (0.53) MAP3K14EIF2AK2GSK3BCDK5CDK5R1

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 2584/4885MAP3K14 3677/4885VDR 2696/4885
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 4239/4885MAP3K14 2656/4885VDR 461/4885

“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.