Sugi Predict

Sugi Predict / Compounds / SCHEMBL11745

SCHEMBL11745

SCHEMBL11745

COCN(c1cn(-c2ccccc2)nc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PIK3CD O00329 4/20 0.39
▸ PIK3R2 O00459 4/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CB P42338 4/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ PIK3R5 Q8WYR1 4/20 0.39
▸ PIK3R3 Q92569 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL13064 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL13213 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL7660 0.68 ALDH1A1 (0.60) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL13079 0.65 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL1927046 0.65 KMT2A (0.44) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL15915212 0.61 RAB9A (0.52) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL14133081 0.61 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL6694770 0.61 EDNRA (0.40) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL29799735 0.61 EDNRA (0.40) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL15918086 0.59 PIK3CD (0.46) ALDH1A1SMN1; SMN2TSHRL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 — — EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 — — WO 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ALDH1A1 3185/4885SMN1; SMN2 2692/4885GAA 3868/4885

“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.