Sugi Predict

Sugi Predict / Compounds / SCHEMBL9948064

SCHEMBL9948064

SCHEMBL9948064

N=C1c2cc(Br)ccc2CC12CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PBK Q96KB5 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ MAP4K5 Q9Y4K4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ CMA1 P23946 1/20 0.33

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
SCHEMBL9948024 0.93 CHEK2 (0.35) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948284 0.92 BACE1 (0.38) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948270 0.89 APP (0.38) CHEK2ROS1MARK3LTKFLT4
SCHEMBL10250153 0.88 APP (0.41) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948584 0.87 BACE1 (0.41) CHEK2ROS1MARK3LTKFLT4
SCHEMBL17355127 0.87 TDP1 (0.43) TDP1L3MBTL1PARP1PARP10KDM1A
SCHEMBL9948585 0.87 BACE1 (0.41) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948411 0.87 PARP10 (0.40) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948563 0.87 APP (0.43) CHEK2ROS1MARK3LTKFLT4
SCHEMBL9948564 0.87 APP (0.43) CHEK2ROS1MARK3LTKFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 — — EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 — — EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 — — US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 — — US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 — — US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 — — US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 — — US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 — — US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 — — US disclosed
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 — — EP disclosed
EP-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 — — EP disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 — — US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — 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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP CHEK2 1180/4885ROS1 2307/4885MARK3 1789/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP CHEK2 1180/4885ROS1 2307/4885MARK3 1789/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP CHEK2 1180/4885ROS1 2307/4885MARK3 1789/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP CHEK2 1180/4885ROS1 2307/4885MARK3 1789/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP CHEK2 1180/4885ROS1 2307/4885MARK3 1789/4885

“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.