SCHEMBL2959702

SCHEMBL2959702

Cc1[nH]c2ccc(C(F)(F)F)cc2c1-c1nsc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.48
EPHX2 P34913 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSK3B P49841 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CHUK O15111 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 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
SCHEMBL2961511 0.84 HTR7 (0.43) KIF11MEN1KMT2AGSK3BCYP1A2
SCHEMBL317502 0.84 MEN1 (0.42) KIF11MEN1KMT2AGSK3BCDK5
SCHEMBL3980764 0.75 CYP1A2 (0.46) MEN1KMT2AGSK3BCYP1A2CYP2C9
SCHEMBL317690 0.73 SMN1; SMN2 (0.35) MEN1KMT2ACYP1A2CYP2C9KDM4E
SCHEMBL2953589 0.71 KIF11 (0.48) KIF11MEN1KMT2AGSK3BCDK5
SCHEMBL16729570 0.71 MEN1 (0.64) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL27933943 0.71 KIF11 (0.49) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL317784 0.69 PTGDR2 (0.54)
SCHEMBL2959234 0.68 NR1H2 (0.47) KIF11MEN1KMT2AGSK3BCDK5
SCHEMBL6824367 0.68 NISCH (0.51) KIF11MEN1KMT2ACHUKKDM4E

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-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

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 2584/4885EPHX2 2937/4885MEN1 2839/4885
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 4239/4885EPHX2 756/4885MEN1 4579/4885

“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.