SCHEMBL317268

SCHEMBL317268

Cc1nc(-c2cn(CC(=O)O)c3ccccc23)c2c(C)csc2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.40
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 5/20 0.38
AKR1A1 P14550 4/20 0.38
MCL1 Q07820 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TBXAS1 P24557 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
SCHEMBL3307798 0.70 KMT2A (0.74) TSHRRXFP1KMT2AALDH1A1KDM4E
SCHEMBL28743782 0.67 KMT2A (0.45) TSHRRXFP1KMT2AALDH1A1KDM4E
SCHEMBL2207329 0.66 PDE4A (0.57) KMT2AALDH1A1KDM4ESTAT3TBXAS1
SCHEMBL317201 0.66 KMT2A (0.41) TSHRRXFP1KMT2AALDH1A1KDM4E
SCHEMBL14091229 0.66 KMT2A (0.44) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL7817940 0.65 KMT2A (0.51) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL21596359 0.65 STAT3 (0.58) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL318032 0.64 AKR1A1 (0.48) KMT2AALDH1A1KDM4EMEN1STAT3
SCHEMBL30834692 0.64 CCNT1 (0.56) TSHRKMT2AMEN1MAPTTDP1
SCHEMBL12874520 0.63 KMT2A (0.66) TSHRRXFP1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US claimed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US claimed
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 claimed
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

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 TSHR 1190/4885RXFP1 548/4885KMT2A 2018/4885
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 TSHR 344/4885RXFP1 335/4885KMT2A 3666/4885

“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.