SCHEMBL12415747

SCHEMBL12415747

COC(=O)Cc1c(N(C)C)nc(Cc2ccc(N)cc2)n2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.34
ZAP70 P43403 9/20 0.34
KARS1 Q15046 8/20 0.34
ALK Q9UM73 2/20 0.33
ENPP1 P22413 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL13236205 0.87 NPSR1 (0.37) TLR7ZAP70KARS1ALKKMT2A
SCHEMBL12415767 0.86 ENPP1 (0.38) ENPP1KMT2A
SCHEMBL13236218 0.79 ALDH1A1 (0.37) TLR7ZAP70KARS1KMT2ARXFP1
SCHEMBL12569024 0.78 TBXA2R (0.47) TLR7ENPP1RXFP1MBOAT4
SCHEMBL13264578 0.75 ALK (0.30) TLR7ZAP70KARS1ALK
SCHEMBL1923032 0.73 PTGDR2 (0.39) KMT2A
SCHEMBL2942781 0.73 PTGDR2 (0.36) ZAP70KARS1KMT2ARXFP1
SCHEMBL12568718 0.73 TBXA2R (0.41) TLR7RXFP1MBOAT4
SCHEMBL12415741 0.72 PTGDR2 (0.54) KMT2A
SCHEMBL12415740 0.72 PTGDR2 (0.54) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 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 (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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 TLR7 997/4885ZAP70 2247/4885KARS1 2195/4885

“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.