SCHEMBL6344740

SCHEMBL6344740

O=C(O)Cc1cn(-c2ccnc3ccccc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.48
CYP1A2 P05177 1/20 0.44
CDC25A P30304 1/20 0.43
MCL1 Q07820 3/20 0.41
PLK1 P53350 5/20 0.41
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4244849 0.80 RORC (0.43) PTGDR2CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL11796272 0.80 CDC25A (0.43) PTGDR2CDC25AMCL1PLK1ALDH1A1
SCHEMBL5456634 0.77 CYP1A2 (0.67) PTGDR2CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL8454150 0.76 HTR7 (0.56) CDC25APLK1ALDH1A1LMNAHTR7
SCHEMBL11883719 0.76 MCL1 (0.46) PTGDR2CDC25AMCL1PLK1ALDH1A1
Hydrochloric Acid SCHEMBL3805296 0.76 CYP1A2 (0.65) PTGDR2CYP1A2ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL4242731 0.75 ADRB2 (0.39) PTGDR2CYP1A2ALDH1A1MEN1POLB
SCHEMBL19100598 0.75 PLK1 (0.45) PTGDR2CDC25AMCL1PLK1ALDH1A1
SCHEMBL14268044 0.75 NCF1 (0.45) PTGDR2KDM4E
SCHEMBL28605717 0.74 PTGDR2 (0.57) PTGDR2CDC25AMCL1PLK1TBXAS1

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-20050165033-A1 Use of indole-3-acetic acids in the treatment of asthma, copd and other diseases ASTRAZENECA AB (SE) 2005-07-28 US disclosed
EP-1474136-A1 USE OF INDOLE-3-ACETIC ACIDS IN THE TREATMENT OF ASTHMA, COPD AND OTHER DISEASES AstraZeneca AB (SE) 2004-11-10 EP disclosed
WO-2003066046-A1 USE OF INDOLE-3-ACETIC ACIDS IN THE TREATMENT OF ASTHMA, COPD AND OTHER DISEASES ASTRAZENECA AB (SE) 2003-08-14 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 (1 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-20050165033-A1 Use of indole-3-acetic acids in the treatment of asthma, copd and other diseases IDO1, IDO2, PTGDR2 PTGDR2 3/4885CYP1A2 96/4885CDC25A 3362/4885

“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.