Sugi Predict

Sugi Predict / Compounds / SCHEMBL649380

SCHEMBL649380

SCHEMBL649380

CONC(=O)c1ccc(C)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ ALDH1A1 P00352 4/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPK14 Q16539 7/20 0.44
▸ MAPK13 O15264 3/20 0.44
▸ MAPK12 P53778 3/20 0.44
▸ MAPK11 Q15759 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43

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
Hydrochloric Acid SCHEMBL1416999 0.98 MAPT (0.59) MAPTTDP1ALDH1A1CASP1KDM4E
SCHEMBL12764358 0.85 TAS1R3 (0.55) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL13495911 0.82 XDH (0.46) TDP1ALDH1A1CASP1KDM4EGAA
SCHEMBL31268024 0.81 MAPT (0.68) MAPTTDP1ALDH1A1CASP1KDM4E
SCHEMBL2297552 0.81 TDP1 (0.66) MAPTTDP1ALDH1A1CASP1HPGD
SCHEMBL4809042 0.81 MAPT (0.66) MAPTTDP1ALDH1A1CASP1KDM4E
SCHEMBL6672999 0.81 MAPT (0.66) MAPTTDP1HDAC1HDAC6HDAC2
SCHEMBL85805 0.81 MAPT (0.68) MAPTTDP1ALDH1A1CASP1KDM4E
SCHEMBL5596417 0.81 HDAC1 (0.49) MAPTALDH1A1CASP1KDM4EHPGD
SCHEMBL13947173 0.81 TAS1R3 (0.55) MAPTALDH1A1KDM4EHPGDGAA

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 — — EP claimed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 — — US claimed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 — — EP claimed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO claimed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 — — US claimed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
EP-3308164-B1 HIGH THROUGHPUT OPTIMIZATION OF CONTENT-LOADED NANOPARTICLES UNIV DANMARKS TEKNISKE (DK) 2019-08-21 — — EP disclosed
US-20180148714-A1 HIGH THROUGHPUT OPTIMIZATION OF CONTENT-LOADED NANOPARTICLES DANMARKS TEKNISKE UNIVERSITET (DK) 2018-05-31 — — US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
EP-3308164-A1 HIGH THROUGHPUT OPTIMIZATION OF CONTENT-LOADED NANOPARTICLES Danmarks Tekniske Universitet (DK) 2018-04-18 — — EP disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 — — WO disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 — — WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 — — US disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 — — US disclosed
EP-1406875-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-14 — — EP disclosed
US-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression BRISTOL-MYERS SQUIBB COMPANY 2003-07-24 — — US disclosed
WO-2003002544-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 — — 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 (5 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-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, TNFRSF1A MAPT 3116/4885TDP1 2311/4885ALDH1A1 297/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPT 817/4885TDP1 732/4885ALDH1A1 3687/4885
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 MAPT 1978/4885TDP1 1298/4885ALDH1A1 4403/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPT 1618/4885TDP1 2390/4885ALDH1A1 2838/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 MAPT 1978/4885TDP1 1298/4885ALDH1A1 4403/4885

“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.