Sugi Predict

Sugi Predict / Compounds / SCHEMBL13206

SCHEMBL13206

SCHEMBL13206

CCOC(=O)c1nn(-c2cccc(F)c2)c2c1CSc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ THRB P10828 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42

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
SCHEMBL6982 0.90 POLB (0.51) TP53ALDH1A1THRBMAPTNPSR1
SCHEMBL13165 0.90 ALDH1A1 (0.54) TP53ALDH1A1THRBMAPTNPSR1
SCHEMBL7334 0.89 TP53 (0.59) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL6648 0.89 ALDH1A1 (0.53) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL7946 0.89 THRB (0.44) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL13201 0.89 ALDH1A1 (0.57) TP53ALDH1A1HPGDTHRBMAPT
SCHEMBL14797 0.88 ALDH1A1 (0.49) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL7795 0.88 ALDH1A1 (0.55) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL12794 0.87 THRB (0.43) TP53ALDH1A1KDM4EHPGDTHRB
SCHEMBL12276342 0.87 ALDH1A1 (0.46) TP53ALDH1A1KDM4EHPGDTHRB

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 9 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
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 TP53 731/4885ALDH1A1 3185/4885KDM4E 1093/4885

“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.