Sugi Predict

Sugi Predict / Compounds / SCHEMBL13038

SCHEMBL13038

SCHEMBL13038

O=C(O)c1nn(-c2ccccc2)c2c1C[S+]([O-])c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ PIK3CD O00329 10/20 0.41
▸ PIK3R2 O00459 10/20 0.41
▸ PIK3CA P42336 10/20 0.41
▸ PIK3CB P42338 10/20 0.41
▸ PIK3CG P48736 10/20 0.41
▸ PIK3R5 Q8WYR1 10/20 0.41
▸ PIK3R3 Q92569 10/20 0.41
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL18082736 0.93 CYP1A2 (0.42) CYP1A2HIF1ACCNA2CDK2CCNA1
SCHEMBL18082759 0.88 PIK3CD (0.47) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL13184 0.85 ALDH1A1 (0.51) CCNA2CDK2CCNA1CYP2C9CYP2C19
SCHEMBL13142 0.85 PIK3CD (0.62) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082687 0.84 PIK3CD (0.39) CYP1A2HIF1ACCNA2CDK2CCNA1
SCHEMBL18082830 0.83 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082742 0.81 PIK3CD (0.64) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082718 0.80 PIK3CD (0.54) CYP1A2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL18082575 0.80 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13037 0.79 PIK3CD (0.59) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 8 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
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
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 CYP1A2 1663/4885HIF1A 2261/4885CCNA2 1304/4885

“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.