SCHEMBL16102245

SCHEMBL16102245

Nc1n[nH]c(C2CCOCC2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.41
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ILK Q13418 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL16068634 0.71 PRKAB2 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22572979 0.63 AOC3 (0.39) GAAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14833240 0.63 GAA (0.44) MAPTGAAMTOR
SCHEMBL4016705 0.62 DAO (0.47) HCAR2LRRK2PRKAB2PRKAG1PRKAA2
SCHEMBL1988296 0.62 KDM5B (0.37) MAPK1PIK3CBPRKAB2PRKAG1PRKAA2
SCHEMBL16940980 0.59 HCAR2 (0.47) HCAR2
SCHEMBL1559055 0.58 IRAK4 (0.33) —
SCHEMBL2945106 0.58 PDE8B (0.35) MTOR
SCHEMBL21001231 0.57 MAOA (0.39) —
SCHEMBL30168873 0.57 MAOA (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-07-05 — — US disclosed
US-9951025-B2 Halogenopyrazoles as inhibitors of thrombin VERSEON CORPORATION (US) 2018-04-24 — — US disclosed
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-02-18 — — US disclosed
EP-2970141-A2 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2016-01-20 — — EP disclosed
WO-2014149139-A2 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2014-09-25 — — 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 (2 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-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN F2, TFPI, SERPINC1 HCAR2 3034/4885MAPT 3276/4885GAA 1578/4885
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN F2, TFPI, SERPINC1 HCAR2 3034/4885MAPT 3276/4885GAA 1578/4885

“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.

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