SCHEMBL19006350

SCHEMBL19006350

COC(=O)C(C)(C)Cc1csc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.42
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL19006341 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDKMT2ANPC1
SCHEMBL21413161 0.82 PDE10A (0.38) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL18999244 0.81 SLC6A3 (0.39) ALDH1A1KMT2ANPC1MEN1
SCHEMBL18982861 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL18982300 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL1912692 0.74 GAA (0.44) SMN1; SMN2ALDH1A1HPGDKMT2ANPC1
SCHEMBL19006349 0.74 USP2 (0.35) SMN1; SMN2HPGDKMT2AMAPTMEN1
SCHEMBL9709994 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKMT2ANPC1
SCHEMBL19006348 0.72 MEN1 (0.39) KMT2AMEN1
SCHEMBL12128215 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A SMN1; SMN2 1852/4885ALDH1A1 2472/4885HPGD 632/4885

“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.