SCHEMBL15075694

SCHEMBL15075694

CN1CNc2ncn(CCO)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL19036501 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL15384357 0.76 LMNA (0.37) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL15075700 0.72 LMNA (0.38) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL15075702 0.68 LMNA (0.33) LMNAADORA2BADORA2AADORA1
SCHEMBL15384250 0.66 LMNA (0.36) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL20203381 0.62 SMN1; SMN2 (0.33) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22237930 0.58 CHEK1 (0.35) —
SCHEMBL15384245 0.57 LMNA (0.46) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL17682216 0.57 SMN1; SMN2 (0.64) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL4534193 0.57 LMNA (0.62) LMNAADORA2BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885ADORA2B 1599/4885PDE4A 1534/4885

“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.

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