SCHEMBL19499800

SCHEMBL19499800

C=C1N(C)C(=O)c2c(ncn2Cc2ccc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)N1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ADORA2B P29275 7/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.61
▸ ABCC8 Q09428 1/20 0.60
▸ KCNJ11 Q14654 1/20 0.60
▸ HTT P42858 2/20 0.58
▸ UBE2N P61088 2/20 0.58
▸ GLA P06280 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46

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
SCHEMBL17486884 0.86 ADORA2B (0.58) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL19499801 0.86 ADORA2B (0.60) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL17486881 0.86 ADORA2B (0.60) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL19499803 0.86 ADORA2B (0.60) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL17486888 0.84 ADORA2B (0.51) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL19677779 0.84 ADORA2B (0.49) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL17750785 0.82 LMNA (0.89) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL19499802 0.82 ADORA1 (0.61) LMNAADORA2BSMN1; SMN2RXFP1MAPT
SCHEMBL19499799 0.81 ADORA1 (0.62) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL20561174 0.78 LMNA (1.00) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1

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-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SELABTEC SCIENCES, SL (ES) 2017-11-02 — — US disclosed
US-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2017-10-26 — — 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-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 SMN1; SMN2, TDP2, MTPN LMNA 465/4885MAPK1 569/4885ADORA2B 972/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN LMNA 433/4885MAPK1 1363/4885ADORA2B 1199/4885

“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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