SCHEMBL794235

SCHEMBL794235

CC1(C)OB(c2ccc3nn[nH]c3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
SNCA P37840 1/20 0.37
EGFR P00533 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL16429399 0.88 LPL (0.40) LPLLIPGSNCAEGFRPRMT5
SCHEMBL3262215 0.80 PRMT5 (0.47) LPLLIPGSNCAEGFRPRMT5
SCHEMBL874992 0.75 MMP12 (0.45) LPLLIPGSNCAEGFR
SCHEMBL29525463 0.75 MMP12 (0.45) LPLLIPGSNCAEGFR
SCHEMBL15574354 0.74 ALDH1A1 (0.49) LPLLIPGSNCAIDO1TDO2
SCHEMBL3831957 0.73 PLAU (0.47) LPLLIPGSNCAEGFRIDO1
SCHEMBL15296449 0.73 EGFR (0.40) LPLLIPGSNCAEGFRIDO1
SCHEMBL25431172 0.72 GSK3A (0.42) LPLLIPGEGFRCA1CA2
SCHEMBL1318307 0.72 MAPT (0.45) LPLLIPGIDO1
SCHEMBL29741038 0.72 MAPT (0.45) LPLLIPGIDO1

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
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
EP-3704121-B1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
EP-3704121-A1 DIAZASPIRO ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (4 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-11192891-B2 Diazaspiro ROCK inhibitors ROCK1, MYLK, ROCK2 LPL 4478/4885LIPG 1119/4885SNCA 1435/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 LPL 4337/4885LIPG 4175/4885SNCA 2105/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 LPL 1511/4885LIPG 213/4885SNCA 1302/4885
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS ROCK1, MYLK, ROCK2 LPL 4478/4885LIPG 1119/4885SNCA 1435/4885

“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.