SCHEMBL317801

SCHEMBL317801

Cc1ccc2[nH]c(C)c(-c3ccnc4cc(C(F)(F)F)ccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.53
KIF11 P52732 4/20 0.52
GRM4 Q14833 1/20 0.41
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
AAK1 Q2M2I8 3/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.38
NPBWR1 P48145 1/20 0.38
GAK O14976 1/20 0.37
CHUK O15111 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3042442 0.88 HTR1A (0.42) PTGDR2KDM4EPARP1GSK3BCDK5
SCHEMBL317371 0.82 PTGDR2 (0.52) PTGDR2KDM4EMEN1KMT2APTGS1
SCHEMBL2951882 0.82 KIF11 (0.49) PTGDR2KIF11CHUKCCNB2CDK1
SCHEMBL317661 0.78 PTGDR2 (0.54) PTGDR2KIF11NCF1KDM4EPARP1
SCHEMBL317503 0.77 KIF11 (0.46) PTGDR2KIF11CHUKCCNB2CDK1
SCHEMBL2959234 0.77 NR1H2 (0.47) PTGDR2KIF11NCF1PARP1CHUK
SCHEMBL2953572 0.76 KIF11 (0.43) PTGDR2KIF11CHUKCCNB2CDK1
SCHEMBL2959852 0.75 KIF11 (0.42) PTGDR2KIF11CHUKCCNB2CDK1
SCHEMBL2958472 0.74 SMN1; SMN2 (0.42) KDM4EGSK3BCDK5CDK5R1MEN1
SCHEMBL317790 0.74 ACHE (0.40) PTGDR2KDM4EPARP1GSK3BCDK5

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-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
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 PTGDR2 429/4885KIF11 2584/4885GRM4 2530/4885
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 PTGDR2 54/4885KIF11 4239/4885GRM4 584/4885

“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.