SCHEMBL5526232

SCHEMBL5526232

COC(=O)c1cc(-c2ccc(OC)nc2)n(-c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.46
FYN P06241 4/20 0.42
SLC16A3 O15427 1/20 0.42
KDR P35968 2/20 0.42
JAK1 P23458 1/20 0.42
EGFR P00533 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RPA1 P27694 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
SCHEMBL5517694 0.90 MARS1 (0.57) MARS1SLC16A3KDRALDH1A1KDM4E
SCHEMBL5524892 0.87 CNR1 (0.48) MARS1FYNSLC16A3KDRJAK1
SCHEMBL4933639 0.82 FYN (0.48) MARS1FYNSLC16A3JAK1SMN1; SMN2
SCHEMBL3864148 0.81 MARS1 (0.49) MARS1SLC16A3SMN1; SMN2PTGS2ALDH1A1
SCHEMBL5270243 0.78 SMN1; SMN2 (0.40) FYNJAK1SMN1; SMN2PTGS2ALDH1A1
SCHEMBL5266512 0.77 KDM4E (0.42) MARS1FYNSMN1; SMN2PTGS2ALDH1A1
SCHEMBL2914740 0.77 GRM5 (0.40) SLC16A3ALDH1A1GAATSHRKDM4E
SCHEMBL28110540 0.76 POLB (0.47) ALDH1A1POLBGAATSHRKDM4E
SCHEMBL6454155 0.75 ALDH1A1 (0.53) MARS1SLC16A3ALDH1A1POLBGAA
SCHEMBL3864153 0.74 ALDH1A1 (0.40) MARS1SLC16A3SMN1; SMN2ALDH1A1POLB

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MARS1 2982/4885FYN 1714/4885SLC16A3 4708/4885

“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.